data_1x05_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 1x05 _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 ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.466 HD11 ' CG2' ' A' ' 40' ' ' ILE . 13.3 mm -91.84 143.89 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.481 HD11 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -115.37 -36.92 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HG2' ' CH2' ' A' ' 111' ' ' TRP . 30.7 tttp -156.22 146.76 21.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.423 ' NE2' HG23 ' A' ' 18' ' ' ILE . 34.8 mt-30 -144.29 147.87 34.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.32 -171.08 43.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.6 m -106.61 135.11 48.7 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 101' ' ' GLN . 13.5 mt -131.1 157.1 44.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.575 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -103.69 100.43 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.475 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 37.8 tttt -84.33 127.84 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.461 HG23 ' CD1' ' A' ' 25' ' ' LEU . 39.3 t -58.98 138.42 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' N ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -153.84 141.42 19.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -79.98 98.39 7.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE2' HD11 ' A' ' 48' ' ' LEU . 5.2 m-85 -87.73 113.27 23.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.538 HD13 ' CD1' ' A' ' 51' ' ' TYR . 72.4 mt -106.67 129.87 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.9 tp -107.6 136.78 46.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.481 ' CA ' HD11 ' A' ' 19' ' ' ILE . 1.8 ptm180 -139.05 124.55 19.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -100.01 141.29 33.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.523 ' N ' ' C ' ' A' ' 45' ' ' PRO . 39.9 t0 56.75 75.81 0.54 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.523 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.0 169.97 73.12 Favored 'Cis proline' 0 C--N 1.359 1.107 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.966 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.72 98.74 9.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.684 ' CZ ' ' CD2' ' A' ' 64' ' ' HIS . 6.5 m-85 -145.64 157.81 43.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.564 HD11 ' CE2' ' A' ' 39' ' ' PHE . 1.3 tm? -123.66 110.69 15.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.157 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.535 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 58.5 m80 -105.95 140.31 39.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 27.2 p90 -130.09 120.96 25.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.538 ' CD1' HD13 ' A' ' 40' ' ' ILE . 17.2 m-85 -106.96 175.04 5.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -87.53 139.13 31.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -37.05 2.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.31 -41.59 38.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.49 -95.24 0.11 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.575 1.172 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 62.15 -175.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -137.74 -55.25 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.84 163.26 22.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.519 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.0 133.27 16.37 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 1.3 mt -52.45 -28.19 19.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -178.83 -154.27 12.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.535 ' HB1' ' CE1' ' A' ' 49' ' ' HIS . . . -164.21 150.49 11.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.47 ' CG2' HG22 ' A' ' 92' ' ' THR . 9.7 mt -117.51 119.06 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.684 ' CD2' ' CZ ' ' A' ' 47' ' ' TYR . 4.7 t-160 -65.51 139.22 58.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.568 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 47' ' ' TYR . 14.2 mt -125.03 7.13 7.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.499 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 7.1 ptt180 -45.56 -27.16 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -165.27 36.75 0.27 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.466 1.103 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.1 p -72.1 172.12 10.7 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.4 t -132.38 146.72 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.431 ' CG2' ' HG2' ' A' ' 116' ' ' GLN . 31.8 t -113.43 139.83 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.84 158.47 36.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.411 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.23 157.6 16.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 58.03 86.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.418 ' CD2' ' HB2' ' A' ' 101' ' ' GLN . 2.1 mt -132.76 170.34 15.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 25.9 p90 -168.99 146.76 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 90' ' ' ILE . 1.1 tt0 -99.93 136.5 39.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.428 ' N ' ' HG2' ' A' ' 89' ' ' GLU . 82.7 mt -126.17 103.53 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -79.51 139.67 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.47 HG22 ' CG2' ' A' ' 63' ' ' ILE . 59.8 p -101.89 -171.54 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.32 -18.57 61.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 2.1 m-20 -94.21 0.04 55.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.5 mt-10 80.93 0.2 1.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.518 HG12 ' CZ ' ' A' ' 98' ' ' TYR . 40.0 t -58.94 135.98 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 8.8 m-70 -108.07 139.9 42.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.603 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.518 ' CZ ' HG12 ' A' ' 96' ' ' VAL . 41.2 m-85 -137.42 125.18 22.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -102.95 107.27 18.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.7 mm? -101.45 173.65 6.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.458 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -139.59 128.03 22.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.55 145.01 27.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.64 -63.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.1 p -91.99 162.14 31.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.438 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -9.22 20.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.791 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -90.58 -33.69 15.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.432 ' HG3' ' CD1' ' A' ' 111' ' ' TRP . 1.9 tt0 -65.67 -45.05 84.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.0 -47.61 44.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -70.62 -52.69 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.445 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -48.73 -53.52 18.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.432 ' CD1' ' HG3' ' A' ' 107' ' ' GLU . 2.9 m95 -47.19 -62.14 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.424 HG12 ' CG1' ' A' ' 70' ' ' VAL . 1.0 OUTLIER -39.82 -66.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -52.64 -37.77 59.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.47 ' HA ' ' CE ' ' A' ' 117' ' ' MET . . . -57.18 -57.29 13.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -58.18 -44.99 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.431 ' HG2' ' CG2' ' A' ' 70' ' ' VAL . 4.4 mt-30 -55.59 -50.29 70.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.47 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -50.41 -44.27 55.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -72.48 -57.89 3.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 80.4 p -48.29 -32.5 7.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.527 ' CD1' ' CG2' ' A' ' 40' ' ' ILE . 26.8 mm -91.32 139.22 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.478 HD13 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -112.75 -31.03 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -158.99 149.33 19.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.25 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.479 ' HG3' ' CG2' ' A' ' 18' ' ' ILE . 30.5 mt-30 -152.23 151.14 30.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.57 178.93 35.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.1 m -95.57 148.46 22.49 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.0 mt -141.33 164.32 30.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.574 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -105.99 99.26 8.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' GLN . 16.0 tttt -82.48 107.16 14.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' LYS . 1.8 tm0? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.553 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 24.5 t -70.46 137.32 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.82 151.22 31.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.415 ' O ' ' CA ' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -88.1 135.1 33.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -130.1 120.87 25.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.564 HD12 ' CD1' ' A' ' 51' ' ' TYR . 89.9 mt -113.23 130.7 66.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.3 tp -108.32 135.16 50.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.478 ' CA ' HD13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -140.52 125.26 18.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.346 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.67 142.29 31.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.505 ' N ' ' C ' ' A' ' 45' ' ' PRO . 4.4 m-20 57.49 76.65 0.46 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.505 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.0 169.94 73.21 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.009 -0.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.7 99.68 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -148.37 166.81 26.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' A' ' 63' ' ' ILE . 1.5 tm? -132.53 112.27 11.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.542 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 38.4 m80 -109.35 129.23 55.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.621 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 7.9 p90 -118.98 121.08 39.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CD1' HD12 ' A' ' 40' ' ' ILE . 11.1 m-85 -107.47 151.56 25.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -58.8 135.61 86.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -46.95 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.25 -33.4 5.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.97 143.71 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 178.93 -178.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -122.53 -63.65 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -87.26 156.47 54.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.555 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.97 139.43 24.35 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.461 1.769 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 4.4 mt -54.93 -32.0 60.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 176.61 -174.46 47.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.542 ' HB1' ' CE1' ' A' ' 49' ' ' HIS . . . -131.71 165.31 24.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.473 ' CD1' HD13 ' A' ' 48' ' ' LEU . 24.4 mt -133.45 116.2 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.612 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 1.9 t-80 -53.86 126.7 23.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.574 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 66' ' ' ARG . 85.5 mt -113.04 -30.23 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.612 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 3.0 mtt-85 -37.3 -47.45 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.78 56.97 0.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 p -108.89 177.65 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.6 t -136.52 152.93 30.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.458 ' CG1' HG12 ' A' ' 112' ' ' ILE . 24.3 t -117.71 139.36 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.49 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -158.74 172.4 18.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.446 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.08 152.51 34.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.438 HG12 ' CA ' ' A' ' 88' ' ' PHE . 20.6 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -75.44 131.27 40.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -139.22 166.04 25.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 9.7 p90 -155.02 144.87 21.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.49 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 10.2 tt0 -99.79 137.48 38.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.451 ' CD1' HD13 ' A' ' 115' ' ' ILE . 87.5 mt -129.62 111.29 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.5 mt -89.58 146.47 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.462 HG22 ' CG2' ' A' ' 63' ' ' ILE . 43.0 p -112.96 174.86 5.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.429 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.72 -18.01 27.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 15.5 m-20 -91.91 -5.3 53.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.7 mt-10 81.17 3.65 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.51 HG12 ' CZ ' ' A' ' 98' ' ' TYR . 48.6 t -64.7 130.14 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.9 m-70 -102.19 136.83 41.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.636 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.51 ' CZ ' HG12 ' A' ' 96' ' ' VAL . 61.6 m-85 -132.96 116.86 16.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -100.29 107.46 19.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -110.93 151.18 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.472 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 3.8 tt0 -109.73 128.92 55.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.07 145.92 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.21 -65.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 48.1 p -92.84 162.26 29.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.341 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.91 21.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 -28.58 21.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -68.44 -49.7 57.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.02 -44.78 10.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -70.65 -52.15 23.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.391 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.0 mt-10 -48.81 -53.24 20.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.435 ' O ' ' N ' ' A' ' 114' ' ' ALA . 9.5 m95 -46.77 -60.98 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.458 HG12 ' CG1' ' A' ' 70' ' ' VAL . 0.6 OUTLIER -41.3 -64.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -54.16 -33.38 57.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.468 ' HA ' ' CE ' ' A' ' 117' ' ' MET . . . -62.32 -57.75 10.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.452 HG23 ' CG2' ' A' ' 70' ' ' VAL . 3.6 mt -57.64 -42.64 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.437 ' HG2' ' CG2' ' A' ' 70' ' ' VAL . 4.3 mt-30 -58.14 -51.74 68.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -48.7 -43.98 37.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.434 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -73.13 -61.98 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.2 p -47.16 -32.2 4.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.342 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.486 ' CG2' ' HG3' ' A' ' 21' ' ' GLN . 26.8 mm -99.63 141.0 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.499 HD11 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -113.79 -32.85 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HD3' ' CE2' ' A' ' 111' ' ' TRP . 8.2 tttp -162.71 141.37 8.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.486 ' HG3' ' CG2' ' A' ' 18' ' ' ILE . 60.5 mt-30 -133.24 163.04 30.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.53 -178.66 31.19 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.563 1.165 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 90.3 m -105.34 148.9 26.56 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.4 mt -141.76 164.34 30.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -104.33 99.75 9.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -89.75 110.57 21.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mttt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.506 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 24.1 t -83.73 140.04 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -156.86 149.27 23.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' O ' ' CA ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -79.49 137.86 37.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -133.19 118.32 18.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.47 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 68.2 mt -114.19 131.57 65.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' CD1' ' CD1' ' A' ' 65' ' ' LEU . 23.5 tp -107.74 136.14 47.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.499 ' CA ' HD11 ' A' ' 19' ' ' ILE . 1.5 ptm180 -139.46 124.7 18.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -100.0 142.78 31.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.338 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.523 ' N ' ' C ' ' A' ' 45' ' ' PRO . 7.0 t0 57.77 75.93 0.51 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.523 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.01 169.66 73.97 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.007 0.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.81 96.45 9.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.41 ' CE1' ' HD2' ' A' ' 64' ' ' HIS . 6.3 m-85 -144.81 162.09 37.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.474 HD12 ' CD1' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -130.75 110.69 11.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.492 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 36.3 m80 -105.56 136.37 45.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.601 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.52 ' CD1' ' HB2' ' A' ' 60' ' ' LEU . 28.2 p90 -127.97 120.02 26.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 51' ' ' TYR . 6.0 m-85 -110.5 156.89 20.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 9.7 t70 -59.06 139.06 87.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.41 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -49.4 -34.95 17.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 152.49 148.03 4.75 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 179.9 -173.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.774 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 82.6 mm-40 -136.03 -62.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -83.65 158.35 62.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.02 132.8 15.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.52 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 5.5 mt -57.22 -29.02 63.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -178.49 -174.86 45.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.492 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -138.07 151.52 47.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 0.733 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.474 ' CD1' HD12 ' A' ' 48' ' ' LEU . 10.4 mt -128.32 116.46 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 66' ' ' ARG . 2.8 t-160 -60.91 128.04 34.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.569 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.474 ' CD1' ' CD1' ' A' ' 41' ' ' LEU . 86.8 mt -111.96 -15.7 13.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.548 ' HB3' ' CE1' ' A' ' 64' ' ' HIS . 0.3 OUTLIER -44.73 -62.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.86 48.72 0.91 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 15.4 p -95.56 176.72 6.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.2 t -138.48 145.85 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.464 ' CG1' HG12 ' A' ' 112' ' ' ILE . 36.0 t -111.04 139.91 32.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.497 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -158.56 174.17 15.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.22 158.52 21.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -86.58 113.78 22.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.88 166.71 15.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 13.3 p90 -154.62 150.94 28.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.497 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 11.6 tt0 -99.96 139.81 35.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.412 ' N ' ' HG2' ' A' ' 89' ' ' GLU . 98.8 mt -132.32 105.82 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.5 mt -83.95 146.4 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 73.4 p -111.26 175.05 5.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.35 -20.51 55.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 13.4 t70 -91.91 -1.5 57.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.6 mt-10 80.58 1.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.474 HG13 ' CZ ' ' A' ' 98' ' ' TYR . 47.7 t -61.54 132.13 26.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 8.1 m-70 -105.62 146.07 30.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.558 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.474 ' CZ ' HG13 ' A' ' 96' ' ' VAL . 58.0 m-85 -140.91 133.71 28.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -109.15 109.41 20.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.6 OUTLIER -113.01 132.38 55.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -97.33 123.82 41.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.78 132.22 39.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.66 -61.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.4 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 4.7 p -106.83 167.88 8.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.457 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.99 -14.23 21.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -77.85 -48.62 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.424 ' HG3' ' CD1' ' A' ' 111' ' ' TRP . 1.7 tp10 -58.17 -49.52 76.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -47.55 -42.68 24.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -73.8 -38.73 64.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.375 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 114' ' ' ALA . 10.4 mt-10 -63.76 -52.0 62.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.471 ' CE2' ' HD3' ' A' ' 20' ' ' LYS . 11.6 m95 -48.88 -60.74 2.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 107.96 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.464 HG12 ' CG1' ' A' ' 70' ' ' VAL . 1.2 mt -40.02 -61.78 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -36.3 71.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 111' ' ' TRP . . . -57.95 -54.72 43.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.463 HG22 ' CG2' ' A' ' 70' ' ' VAL . 1.9 mp -60.14 -43.08 92.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -57.9 -48.88 78.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -51.49 -45.23 62.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -72.27 -64.85 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.0 p -45.43 -34.26 3.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.033 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.441 HD12 ' NE2' ' A' ' 21' ' ' GLN . 4.8 mt -83.9 160.04 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.438 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -119.2 -40.11 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.508 ' HD3' ' CZ2' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -156.46 131.98 9.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.441 ' NE2' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -152.33 158.9 43.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.73 -115.96 0.55 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 p -148.17 136.1 21.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 111' ' ' TRP . 18.0 mt -136.58 162.34 33.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -104.31 99.53 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -85.7 128.22 34.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.501 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 42.6 t -61.21 145.77 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.35 144.72 22.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -86.29 102.36 13.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -96.29 118.27 32.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.578 HD13 ' CD1' ' A' ' 51' ' ' TYR . 21.6 mt -111.04 128.25 67.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.404 ' O ' HG22 ' A' ' 18' ' ' ILE . 16.2 tp -108.32 137.19 46.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.87 130.26 21.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -100.32 141.01 33.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.511 ' N ' ' C ' ' A' ' 45' ' ' PRO . 4.8 m-20 58.42 76.76 0.44 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.511 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.05 170.16 72.61 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.984 0.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.84 96.08 7.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -144.66 163.38 34.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.467 ' CD1' HD12 ' A' ' 63' ' ' ILE . 1.3 tm? -129.54 111.67 12.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.423 ' NE2' ' HB2' ' A' ' 62' ' ' ALA . 68.9 m80 -102.47 139.25 38.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.562 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 21.6 p90 -127.31 120.07 27.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.578 ' CD1' HD13 ' A' ' 40' ' ' ILE . 17.5 m-85 -107.65 175.71 5.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 3.1 t70 -91.31 145.43 31.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -50.88 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.466 1.771 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -43.36 -42.92 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 148.19 144.46 3.98 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 111.029 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -167.76 169.2 11.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.83 -60.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.38 166.17 12.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.529 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 134.0 17.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.417 1.746 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.578 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 3.5 mt -45.34 -29.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.51 -156.79 24.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.423 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . . . -148.52 159.23 44.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 0.752 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.467 HD12 ' CD1' ' A' ' 48' ' ' LEU . 42.7 mt -123.86 123.09 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.622 ' CE1' ' CB ' ' A' ' 66' ' ' ARG . 3.9 t-80 -63.17 123.35 18.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.558 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' ARG . 80.9 mt -109.99 -14.85 14.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.622 ' CB ' ' CE1' ' A' ' 64' ' ' HIS . 9.7 ttt180 -37.54 -66.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -119.46 49.54 0.87 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.8 p -90.46 166.95 12.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.5 t -123.35 152.3 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.473 ' CG1' HG12 ' A' ' 112' ' ' ILE . 32.0 t -119.24 138.08 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -157.9 157.91 34.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.86 146.31 28.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.001 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -75.78 111.02 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.31 173.53 6.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 23.8 p90 -157.51 147.53 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -100.06 138.67 36.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.4 HD12 ' CD1' ' A' ' 115' ' ' ILE . 98.2 mt -131.16 104.37 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.0 mt -81.16 141.31 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.424 HG21 ' CG2' ' A' ' 63' ' ' ILE . 72.6 p -106.97 174.67 5.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.403 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.25 -17.96 23.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.43 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 11.9 t70 -93.97 -1.53 54.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.496 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 79.28 3.08 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.56 HG13 ' CE2' ' A' ' 98' ' ' TYR . 40.2 t -63.94 127.85 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.496 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.7 m-70 -100.37 133.3 44.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.576 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.56 ' CE2' HG13 ' A' ' 96' ' ' VAL . 39.1 m-85 -125.94 124.47 40.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 111.054 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -104.38 107.79 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.4 OUTLIER -110.9 145.07 38.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.25 126.93 52.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.26 148.71 21.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -58.75 5.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.3 p -102.37 162.27 20.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.398 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -5.75 17.18 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.445 1.76 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -93.38 -30.48 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.42 ' OE1' ' CE ' ' A' ' 20' ' ' LYS . 3.4 tp10 -67.18 -56.12 11.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 107' ' ' GLU . 0.4 OUTLIER -38.5 -43.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -72.13 -49.04 39.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.361 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 114' ' ' ALA . 6.7 mt-10 -53.05 -57.3 10.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.508 ' CZ2' ' HD3' ' A' ' 20' ' ' LYS . 1.5 m95 -42.65 -59.55 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 108.009 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -40.88 -64.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -55.34 -33.19 63.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 111' ' ' TRP . . . -61.53 -54.25 45.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.4 ' CD1' HD12 ' A' ' 90' ' ' ILE . 3.7 mt -61.98 -47.07 94.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.431 ' HG2' ' CG2' ' A' ' 70' ' ' VAL . 3.2 mt-30 -53.91 -49.32 68.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.438 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.6 OUTLIER -50.6 -49.14 57.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.438 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -68.25 -57.38 6.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 82.2 p -49.38 -34.04 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 22.4 mt -95.49 168.33 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.472 HD13 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -140.88 -44.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HG2' ' CZ2' ' A' ' 111' ' ' TRP . 36.0 tttt -137.74 149.45 46.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.431 ' NE2' HG23 ' A' ' 18' ' ' ILE . 40.5 mt-30 -153.07 160.09 42.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.248 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.68 -162.63 30.07 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.7 m -114.17 144.04 43.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.508 ' HB2' ' CD2' ' A' ' 39' ' ' PHE . 56.8 mt -139.27 167.31 22.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.605 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -107.41 99.2 8.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -88.5 128.39 35.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.474 HG22 ' CD1' ' A' ' 25' ' ' LEU . 3.4 t -104.0 130.1 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -145.5 152.31 39.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -83.88 139.9 32.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.508 ' CD2' ' HB2' ' A' ' 24' ' ' LEU . 11.8 m-85 -132.08 127.32 35.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.413 HD12 ' CE1' ' A' ' 51' ' ' TYR . 62.0 mt -121.36 129.52 75.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 tp -108.18 135.0 50.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.472 ' CA ' HD13 ' A' ' 19' ' ' ILE . 31.5 mtt85 -134.56 128.8 33.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.477 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -104.24 138.79 40.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.517 ' N ' ' C ' ' A' ' 45' ' ' PRO . 2.0 t70 55.2 76.28 0.52 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.517 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.0 170.45 71.83 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.005 -0.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.87 96.33 7.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.698 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 11.4 m-85 -144.47 153.3 41.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -124.57 111.52 15.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.413 ' CD2' ' CB ' ' A' ' 62' ' ' ALA . 76.2 m80 -105.57 143.93 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.595 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.489 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 6.2 p90 -129.67 133.46 47.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.457 ' N ' ' CD1' ' A' ' 51' ' ' TYR . 11.4 m-85 -119.64 161.17 21.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -71.92 137.84 82.38 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -48.07 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.51 -27.45 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.85 149.38 5.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -179.01 -171.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -130.61 -67.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.41 158.94 54.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.2 22.68 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.454 1.765 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 2.2 mt -60.0 -16.17 28.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 162.56 -157.17 29.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.538 1.149 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.413 ' CB ' ' CD2' ' A' ' 49' ' ' HIS . . . -161.55 149.52 15.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.431 ' CG2' HG22 ' A' ' 92' ' ' THR . 17.3 mt -113.09 116.87 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.698 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 3.5 t-160 -63.49 135.11 56.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.571 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.46 HD13 ' CA ' ' A' ' 47' ' ' TYR . 6.8 mt -122.25 8.65 9.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.465 ' HD3' ' CE1' ' A' ' 64' ' ' HIS . 23.1 ptt180 -46.53 -25.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 66' ' ' ARG . . . -169.17 37.16 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.4 p -72.26 169.19 16.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.8 t -121.13 147.28 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.465 ' CG1' HG12 ' A' ' 112' ' ' ILE . 25.6 t -117.61 139.17 45.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.02 167.27 30.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.429 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.54 149.75 28.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.7 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -82.15 111.16 18.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.48 176.17 8.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 16.5 p90 -161.21 146.82 14.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -99.83 128.78 45.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.407 HD13 ' CE1' ' A' ' 88' ' ' PHE . 87.1 mt -121.37 104.41 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.5 mt -81.05 142.86 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.431 HG22 ' CG2' ' A' ' 63' ' ' ILE . 82.2 p -105.07 177.81 4.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.29 -15.85 58.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 12.3 t0 -96.57 -1.38 47.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.583 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.3 mt-10 83.11 -2.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.467 HG11 ' CZ ' ' A' ' 98' ' ' TYR . 46.7 t -59.97 131.37 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 7.4 m-70 -104.54 147.75 27.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.467 ' CZ ' HG11 ' A' ' 96' ' ' VAL . 56.9 m-85 -143.06 123.37 13.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -102.13 107.9 19.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.9 OUTLIER -110.33 132.41 54.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -97.08 135.8 38.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -103.67 154.48 19.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.18 -57.68 5.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.7 p -101.08 162.48 20.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.362 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -6.32 17.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.5 -36.02 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -46.96 87.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.34 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -50.13 -43.89 52.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.25 -51.25 32.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.0 mt-10 -50.97 -58.52 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.525 ' CZ2' ' HG2' ' A' ' 20' ' ' LYS . 11.8 m95 -41.71 -58.63 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 107.998 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.465 HG12 ' CG1' ' A' ' 70' ' ' VAL . 1.6 mt -43.41 -67.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -54.5 -23.75 17.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.463 ' HA ' ' CE ' ' A' ' 117' ' ' MET . . . -73.17 -58.65 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mt -55.35 -38.86 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.45 ' O ' ' CG ' ' A' ' 120' ' ' ARG . 4.4 mt-30 -61.21 -57.13 13.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -40.73 -42.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -76.05 -48.97 18.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 52.4 p -50.15 -38.83 41.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 116' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 23.7 mt -99.48 165.69 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.493 HD13 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -132.1 -43.56 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -146.52 149.55 33.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -149.81 160.48 43.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.47 -171.9 34.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 92.6 m -106.66 147.15 29.89 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.4 mt -141.94 170.63 15.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.599 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -108.91 99.47 8.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 8.1 tttt -82.01 114.44 20.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.555 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 36.9 t -67.73 142.43 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -156.75 150.57 24.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.311 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -85.64 138.99 31.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -131.83 118.7 20.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.464 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 81.6 mt -112.95 129.88 67.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.473 ' CD1' HD12 ' A' ' 65' ' ' LEU . 35.9 tp -107.73 137.58 45.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.493 ' CA ' HD13 ' A' ' 19' ' ' ILE . 36.9 mtp180 -140.39 126.11 19.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.436 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -104.22 140.86 37.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.53 ' N ' ' C ' ' A' ' 45' ' ' PRO . 2.1 t70 54.95 75.74 0.58 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.53 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.96 169.46 74.48 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.001 -0.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.1 97.8 9.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.425 ' N ' HD13 ' A' ' 65' ' ' LEU . 10.6 m-85 -147.77 147.86 30.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.491 ' C ' ' CD1' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -118.46 113.89 22.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -107.62 132.95 52.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.607 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -124.02 127.85 48.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.523 ' CE2' ' HB3' ' A' ' 59' ' ' PRO . 9.2 m-85 -114.93 169.59 8.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 10.6 t70 -75.73 141.87 72.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -46.59 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.782 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.407 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -47.64 -36.89 11.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.6 146.27 4.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -175.31 178.59 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.357 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -119.04 -59.56 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.72 158.95 34.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.523 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.03 133.53 16.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.561 1.821 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.74 -35.76 56.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -172.73 -170.01 35.98 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.483 1.114 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.74 164.68 29.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.357 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.481 ' CG2' HG22 ' A' ' 92' ' ' THR . 37.5 mt -130.74 106.11 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.409 ' NE2' ' HB2' ' A' ' 66' ' ' ARG . 5.0 t-160 -54.81 130.97 42.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.606 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.473 HD12 ' CD1' ' A' ' 41' ' ' LEU . 23.3 mt -113.83 8.5 17.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.409 ' HB2' ' NE2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -53.48 -61.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.247 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.29 30.72 3.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.8 p -64.31 177.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.6 t -140.45 142.83 30.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.435 ' CG1' HG12 ' A' ' 112' ' ' ILE . 37.9 t -113.06 137.71 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 72' ' ' SER . 0.6 OUTLIER -149.93 174.6 12.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.373 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.408 ' N ' HG23 ' A' ' 71' ' ' THR . 0.1 OUTLIER -119.52 134.4 55.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.474 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 1.2 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -71.63 110.05 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -125.7 178.02 5.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 14.8 p90 -159.71 149.27 18.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -101.87 127.62 48.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 88.8 mt -119.7 108.88 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.7 mt -85.38 141.07 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.481 HG22 ' CG2' ' A' ' 63' ' ' ILE . 32.3 p -102.74 -173.57 2.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.41 -16.71 62.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 1.3 m-20 -95.2 -1.5 51.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.8 mt-10 83.22 -1.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.49 HG13 ' CZ ' ' A' ' 98' ' ' TYR . 33.3 t -58.45 133.53 23.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 9.4 m-70 -107.98 141.13 40.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.64 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.49 ' CZ ' HG13 ' A' ' 96' ' ' VAL . 65.4 m-85 -136.51 133.66 36.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -111.56 107.56 16.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.498 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -110.34 134.06 52.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -96.2 131.06 43.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.83 145.06 25.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.62 -55.83 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.8 p -104.21 164.52 15.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -19.58 17.76 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.464 1.771 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -79.43 -41.4 27.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.0 -54.87 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -41.28 -43.96 2.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -72.45 -42.36 65.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.2 mt-10 -59.93 -59.5 5.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.463 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 3.2 m95 -41.84 -58.45 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.435 HG12 ' CG1' ' A' ' 70' ' ' VAL . 2.3 mt -42.89 -67.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.67 -24.38 21.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 111' ' ' TRP . . . -69.24 -60.77 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.3 -36.25 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 120' ' ' ARG . 4.5 mt-30 -63.47 -52.03 63.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -46.86 -41.51 15.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.436 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -74.53 -62.13 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 98.6 p -48.07 -29.6 3.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 116' ' ' GLN . 17.1 mmt85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 34.9 mt -106.57 166.91 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.487 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -135.64 -43.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -140.84 151.5 44.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -150.32 155.86 40.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.97 -168.7 34.55 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.438 1.086 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.2 p -119.79 137.15 54.14 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 70.0 mt -126.63 176.26 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.578 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -109.52 99.28 8.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.42 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 7.0 tttm -83.25 125.59 31.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.567 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 38.7 t -75.06 145.58 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -157.96 150.23 22.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -82.31 143.17 31.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CD1' ' HB3' ' A' ' 50' ' ' TYR . 8.2 m-85 -141.04 118.86 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.475 HD12 ' CE1' ' A' ' 51' ' ' TYR . 74.7 mt -116.24 131.76 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.459 ' CD1' HD13 ' A' ' 65' ' ' LEU . 32.5 tp -107.96 137.9 45.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.422 ' NH1' ' ND1' ' A' ' 49' ' ' HIS . 16.3 mtt85 -138.73 124.25 19.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.239 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.458 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -102.89 136.27 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.521 ' N ' ' C ' ' A' ' 45' ' ' PRO . 13.4 t0 58.28 76.29 0.47 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.521 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.1 Cg_endo -75.03 170.48 71.73 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.978 0.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.444 ' CB ' ' HB2' ' A' ' 65' ' ' LEU . . . -98.11 95.96 7.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.418 ' N ' HD11 ' A' ' 65' ' ' LEU . 9.2 m-85 -145.69 144.16 30.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' O ' ' CD1' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -116.81 112.51 21.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.422 ' ND1' ' NH1' ' A' ' 42' ' ' ARG . 77.6 m80 -105.88 138.04 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.595 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.502 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 24.7 p90 -129.13 123.5 32.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.475 ' CE1' HD12 ' A' ' 40' ' ' ILE . 27.2 m-85 -107.03 169.07 8.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -75.28 142.67 75.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -47.49 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.5 -32.02 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.36 149.83 5.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 179.91 -169.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -129.96 -57.36 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.1 p-10 -90.24 155.51 46.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 151.12 38.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.502 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 1.5 mt -72.03 -9.59 58.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 155.68 -174.48 33.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.4 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . . . -139.4 146.86 40.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.472 ' CG2' HG23 ' A' ' 92' ' ' THR . 9.4 mt -112.64 110.63 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 6.8 t-160 -54.65 135.46 46.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.574 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.459 HD13 ' CD1' ' A' ' 41' ' ' LEU . 37.4 mt -117.06 13.66 14.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.565 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -55.43 -63.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.29 39.41 1.9 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.4 p -74.22 174.8 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.3 t -135.35 148.33 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.362 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.463 ' CG1' HG12 ' A' ' 112' ' ' ILE . 25.4 t -115.33 140.1 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.493 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.2 t -158.85 175.54 13.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.431 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.53 160.53 20.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.447 HG11 ' CA ' ' A' ' 88' ' ' PHE . 20.2 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.508 ' ND2' ' CA ' ' A' ' 105' ' ' PRO . 68.4 m-20 -83.35 126.66 32.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.467 ' CD2' ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -134.01 178.68 6.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 15.6 p90 -165.32 145.39 6.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.595 ' OE2' ' CZ ' ' A' ' 99' ' ' PHE . 16.4 tt0 -99.83 136.72 39.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.84 110.65 22.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.405 HG12 ' ND1' ' A' ' 97' ' ' HIS . 2.8 mt -88.48 143.23 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.472 HG23 ' CG2' ' A' ' 63' ' ' ILE . 32.7 p -107.13 -179.06 3.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 110.358 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -14.86 61.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -95.94 -2.18 47.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.561 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.3 mt-10 80.1 2.26 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.492 HG11 ' CZ ' ' A' ' 98' ' ' TYR . 42.1 t -64.76 132.11 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.561 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.6 m-70 -104.88 143.56 32.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.577 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.492 ' CZ ' HG11 ' A' ' 96' ' ' VAL . 58.3 m-85 -138.82 123.97 19.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.595 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 59.2 m-85 -100.43 107.65 19.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -112.78 131.58 55.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.467 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 4.9 tt0 -93.79 133.54 37.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.356 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -101.28 131.24 47.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.69 -66.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.4 p -101.67 166.75 11.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.44 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.508 ' CA ' ' ND2' ' A' ' 86' ' ' ASN . 18.4 Cg_endo -75.02 -8.85 20.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -43.46 14.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.28 -45.86 91.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.32 -42.57 31.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -73.99 -40.94 62.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 114' ' ' ALA . 12.0 mt-10 -60.99 -54.84 39.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.45 ' O ' ' N ' ' A' ' 114' ' ' ALA . 13.0 m95 -45.51 -61.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 108.001 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.463 HG12 ' CG1' ' A' ' 70' ' ' VAL . 2.2 mt -40.75 -65.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.39 -32.69 50.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.452 ' HA ' ' CE ' ' A' ' 117' ' ' MET . . . -64.55 -53.81 42.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.8 mt -60.51 -44.53 96.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -57.61 -48.07 80.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.452 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -52.13 -46.1 65.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.45 -64.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.5 p -43.81 -36.98 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.459 ' CD1' HG23 ' A' ' 40' ' ' ILE . 16.9 mt -97.72 157.36 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.01 -40.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -152.81 137.69 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.425 ' NE2' HD13 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -159.44 158.2 31.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.85 -140.0 5.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 68.4 m -116.87 136.58 52.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.533 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 15.5 mt -138.97 152.6 47.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.536 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -97.39 99.79 11.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -83.77 113.89 21.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.462 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 34.9 t -57.2 136.02 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.72 151.64 31.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -86.72 131.0 34.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.533 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 11.6 m-85 -128.53 118.92 23.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.556 HD13 ' CE1' ' A' ' 51' ' ' TYR . 20.5 mt -112.75 128.91 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.532 ' CD1' ' CD1' ' A' ' 65' ' ' LEU . 17.7 tp -108.47 138.7 44.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.511 ' NE ' ' HD1' ' A' ' 49' ' ' HIS . 6.9 ptp180 -142.11 126.68 17.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.478 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -100.23 140.45 34.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.502 ' N ' ' C ' ' A' ' 45' ' ' PRO . 14.9 t0 58.39 76.86 0.43 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.502 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.04 165.54 85.65 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.12 99.59 12.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -149.19 162.92 39.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -130.75 110.47 11.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.511 ' HD1' ' NE ' ' A' ' 42' ' ' ARG . 64.6 m80 -102.48 125.89 49.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.474 ' HB3' ' CD2' ' A' ' 39' ' ' PHE . 25.3 p90 -120.58 128.12 52.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.556 ' CE1' HD13 ' A' ' 40' ' ' ILE . 7.1 m-85 -115.04 169.67 8.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -80.43 143.33 55.41 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -41.85 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.67 -34.32 51.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 145.01 152.03 5.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 177.56 165.22 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -110.65 -57.3 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -90.92 156.26 44.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.554 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.02 128.56 11.56 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.467 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 3.7 mt -42.21 -30.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.14 -166.85 40.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -134.88 150.22 50.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.474 ' CG2' HG23 ' A' ' 92' ' ' THR . 89.2 mt -118.53 108.3 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.584 ' CE1' ' HB3' ' A' ' 66' ' ' ARG . 2.9 t-80 -51.94 124.81 13.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.62 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.532 ' CD1' ' CD1' ' A' ' 41' ' ' LEU . 99.2 mt -110.71 -23.36 11.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.584 ' HB3' ' CE1' ' A' ' 64' ' ' HIS . 1.0 OUTLIER -39.23 -61.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -117.5 52.78 0.67 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.1 p -98.46 174.65 6.35 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -137.7 141.8 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.467 ' CG1' HG12 ' A' ' 112' ' ' ILE . 39.7 t -108.63 137.18 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -158.48 164.01 36.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.92 137.41 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.017 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.436 HG11 ' CA ' ' A' ' 88' ' ' PHE . 24.9 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -82.36 110.1 17.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.459 ' CD2' ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -119.72 163.42 17.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 25.1 p90 -149.54 147.77 28.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.517 ' OE2' ' CZ ' ' A' ' 99' ' ' PHE . 20.5 tt0 -103.15 134.12 47.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 74.8 mt -126.23 112.32 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.4 mt -89.73 144.4 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.474 HG23 ' CG2' ' A' ' 63' ' ' ILE . 29.8 p -105.98 -178.19 3.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.39 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.57 -9.75 51.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.45 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -101.74 -1.65 31.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.607 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.9 mt-10 81.55 1.91 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.5 HG13 ' CZ ' ' A' ' 98' ' ' TYR . 37.3 t -62.34 132.06 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 10.8 m-70 -104.91 145.88 29.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.623 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.5 ' CZ ' HG13 ' A' ' 96' ' ' VAL . 30.9 m-85 -141.07 129.54 22.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.517 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 78.2 m-85 -106.98 106.52 17.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.7 OUTLIER -113.28 130.21 56.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.459 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 3.1 tt0 -94.04 131.53 39.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -100.06 123.84 44.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.9 -63.83 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.0 p -95.25 164.1 20.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -15.06 20.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -84.84 -37.51 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.1 -41.37 92.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.248 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -56.64 -42.99 79.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -72.78 -41.01 65.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.5 mt-10 -60.84 -55.07 37.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.446 ' O ' ' N ' ' A' ' 114' ' ' ALA . 10.3 m95 -47.23 -59.78 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.467 HG12 ' CG1' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -41.9 -63.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.08 -31.71 63.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 110' ' ' GLU . . . -62.87 -52.22 63.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.5 mp -62.39 -46.41 96.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.423 ' HG2' ' CG2' ' A' ' 70' ' ' VAL . 4.2 mt-30 -54.89 -49.72 70.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.444 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.4 OUTLIER -49.38 -48.55 46.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -70.6 -63.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 83.5 p -45.19 -32.48 1.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.445 ' CD1' ' CG2' ' A' ' 40' ' ' ILE . 23.0 mm -97.59 155.47 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.514 HD11 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -124.71 -42.34 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.419 ' NZ ' ' OE1' ' A' ' 107' ' ' GLU . 10.6 tttt -151.13 142.59 23.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.43 ' NE2' HG22 ' A' ' 18' ' ' ILE . 35.5 mt-30 -142.35 141.43 32.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.086 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.42 -173.33 44.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.9 p -107.92 129.97 55.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 mt -123.12 157.04 33.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -100.23 100.91 11.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -88.15 116.48 26.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.496 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 33.5 t -63.07 138.52 22.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -148.41 138.69 22.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.65 124.04 28.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.536 ' CD2' HD13 ' A' ' 48' ' ' LEU . 6.9 m-85 -117.0 116.5 27.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.508 HD11 ' CD1' ' A' ' 51' ' ' TYR . 84.0 mt -108.53 127.75 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 65' ' ' LEU . 19.1 tp -107.96 139.61 42.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.514 ' CA ' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -139.25 130.51 26.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' HG2' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -103.25 138.9 39.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.264 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.474 ' N ' ' C ' ' A' ' 45' ' ' PRO . 6.1 t70 54.96 77.99 0.41 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.474 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.99 172.07 64.9 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.057 -0.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.55 95.6 6.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.511 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 8.0 m-85 -142.24 168.39 19.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.536 HD13 ' CD2' ' A' ' 39' ' ' PHE . 1.3 tm? -133.02 110.26 10.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.525 ' CD2' ' HB3' ' A' ' 62' ' ' ALA . 34.7 m80 -106.6 116.03 31.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.602 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 31.3 p90 -106.16 119.97 40.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.508 ' CD1' HD11 ' A' ' 40' ' ' ILE . 13.1 m-85 -109.55 153.84 23.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.83 130.27 93.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -5.1 16.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 111.056 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.52 -4.09 42.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.46 -124.19 2.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.475 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . 76.83 -58.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.789 . . . . 0.0 109.355 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 9.4 tt0 84.39 -55.84 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -75.66 152.76 85.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.474 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.03 115.1 4.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.547 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 2.9 mt -45.21 -34.18 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -172.15 -155.07 10.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.525 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . . . -157.19 156.9 33.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.469 ' CG2' HG23 ' A' ' 92' ' ' THR . 23.1 mt -128.43 108.23 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.511 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 5.0 t-160 -53.02 133.76 38.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 41' ' ' LEU . 27.5 mt -118.95 9.46 11.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -65.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -120.8 33.53 4.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.8 p -69.1 175.13 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.0 t -139.71 146.63 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.468 ' CG1' HG12 ' A' ' 112' ' ' ILE . 33.9 t -113.19 138.74 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -157.45 159.78 37.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.33 162.78 12.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.407 ' CG2' ' HB2' ' A' ' 87' ' ' LEU . 33.3 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 53.04 56.0 8.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.499 ' CD2' ' HB2' ' A' ' 101' ' ' GLN . 17.0 mt -107.45 170.96 7.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 7.3 p90 -169.9 145.42 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.462 ' HG2' ' N ' ' A' ' 90' ' ' ILE . 2.6 tt0 -99.61 140.95 33.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.509 HD11 ' CE1' ' A' ' 88' ' ' PHE . 6.2 mt -129.31 104.02 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.2 mt -82.84 135.21 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.469 HG23 ' CG2' ' A' ' 63' ' ' ILE . 73.4 p -98.51 -169.62 1.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.05 -20.62 60.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.422 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 1.1 m-20 -92.56 1.24 57.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.59 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.9 mt-10 80.65 0.05 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.53 HG11 ' CZ ' ' A' ' 98' ' ' TYR . 40.9 t -60.14 132.28 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 1.9 m-70 -106.34 139.83 40.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.639 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.53 ' CZ ' HG11 ' A' ' 96' ' ' VAL . 34.9 m-85 -133.04 121.12 22.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -102.09 106.84 17.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -107.18 170.14 8.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.499 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -123.8 124.07 41.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.44 120.76 34.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.67 -57.64 3.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.2 p -101.33 162.81 19.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.407 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -14.68 21.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.79 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.77 -33.16 21.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.419 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 1.4 tp10 -61.42 -50.28 73.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -48.32 -45.23 34.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 m -71.19 -44.64 65.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.427 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 114' ' ' ALA . 7.9 mt-10 -58.56 -59.73 4.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' ALA . 2.8 m95 -43.89 -61.01 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 107.981 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.468 HG12 ' CG1' ' A' ' 70' ' ' VAL . 1.4 mt -40.29 -66.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.38 -32.68 57.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 111' ' ' TRP . . . -62.36 -55.01 32.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mt -60.41 -48.75 87.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.454 ' HG2' ' CG2' ' A' ' 70' ' ' VAL . 4.3 mt-30 -51.62 -49.27 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.436 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -52.03 -47.82 64.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.436 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -66.75 -56.84 8.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.6 p -54.42 -28.73 45.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' GLN . 38.4 mmt180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.451 ' CD1' HG22 ' A' ' 40' ' ' ILE . 24.3 mt -99.44 160.52 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.433 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -124.9 -40.87 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HE3' ' CD1' ' A' ' 111' ' ' TRP . 9.2 tttm -156.44 130.84 8.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.421 ' NE2' HD13 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -148.6 159.83 43.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.44 -160.71 34.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.6 p -95.53 148.49 22.45 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.432 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 12.5 mt -151.41 155.25 38.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -98.24 99.28 10.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -90.26 116.75 28.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mttt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.5 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 39.6 t -59.5 140.9 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -157.79 167.39 30.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.26 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -99.08 143.41 29.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 13.0 m-85 -136.65 114.12 10.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.451 HG22 ' CD1' ' A' ' 18' ' ' ILE . 28.0 mt -107.76 129.63 61.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.406 ' O ' HG22 ' A' ' 18' ' ' ILE . 20.8 tp -109.14 137.92 46.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.52 ' CZ ' ' ND1' ' A' ' 49' ' ' HIS . 12.4 ptp180 -141.79 125.42 16.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.489 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -100.32 143.52 30.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.526 ' N ' ' C ' ' A' ' 45' ' ' PRO . 5.4 t0 52.08 76.11 0.57 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.526 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.94 170.05 72.85 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.049 -0.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.38 98.82 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -145.54 157.24 44.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 63' ' ' ILE . 1.4 tm? -127.07 111.32 13.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.52 ' ND1' ' CZ ' ' A' ' 42' ' ' ARG . 76.3 m80 -107.24 136.41 47.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.584 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 53.1 p90 -126.13 121.68 33.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.55 ' CD2' ' HA ' ' A' ' 59' ' ' PRO . 2.6 m-85 -117.27 160.72 20.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 2.5 t70 -58.91 141.84 85.39 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.26 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.556 1.819 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.445 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -43.06 -37.35 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 150.27 141.38 3.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -168.26 -171.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -140.27 -63.65 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -78.7 152.47 77.78 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.55 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 131.57 14.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 5.2 mt -63.25 -27.85 69.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -168.45 -159.16 13.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.467 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -167.2 128.74 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.476 ' CG2' HG21 ' A' ' 92' ' ' THR . 5.6 mt -104.43 123.23 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.52 ' CG ' ' HG2' ' A' ' 66' ' ' ARG . 5.9 t-160 -72.61 132.99 44.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 mt -120.19 23.79 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.52 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 16.3 ptt180 -65.31 -24.3 67.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.45 31.7 0.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.7 p -67.76 167.16 13.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 t -120.22 150.4 22.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.469 ' CG1' HG12 ' A' ' 112' ' ' ILE . 25.3 t -117.03 138.48 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -157.61 168.23 27.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.45 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.1 147.78 34.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.438 HG11 ' CA ' ' A' ' 88' ' ' PHE . 28.7 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -81.05 119.09 23.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.429 ' CD2' ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -127.25 162.93 25.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 37.1 p90 -152.42 143.26 22.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 90' ' ' ILE . 3.9 tt0 -99.91 138.75 36.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.425 ' N ' ' HG2' ' A' ' 89' ' ' GLU . 76.8 mt -129.63 105.3 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.7 mt -82.71 144.77 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.476 HG21 ' CG2' ' A' ' 63' ' ' ILE . 54.0 p -109.13 178.14 4.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.443 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.97 -14.71 50.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -95.08 -5.12 45.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 6.0 mt-10 83.35 -1.44 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 94' ' ' ASP . 42.7 t -61.08 132.62 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 7.5 m-70 -104.72 142.69 34.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.581 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.443 ' CZ ' HG12 ' A' ' 96' ' ' VAL . 48.2 m-85 -137.62 120.41 16.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -100.69 109.18 21.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.5 OUTLIER -113.9 133.53 55.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.429 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 3.5 tt0 -96.46 129.07 43.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . -98.91 125.24 44.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -39.73 -64.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.4 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 19.7 p -95.67 164.54 18.61 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.402 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -75.03 -11.74 21.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.552 1.817 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -88.32 -30.04 19.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.44 -39.34 85.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.05 -45.08 91.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -68.84 -50.6 48.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.7 mt-10 -51.33 -55.93 15.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.45 ' CD1' ' HE3' ' A' ' 20' ' ' LYS . 9.3 m95 -44.01 -61.0 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.469 HG12 ' CG1' ' A' ' 70' ' ' VAL . 1.0 OUTLIER -40.69 -67.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -52.25 -32.51 37.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 111' ' ' TRP . . . -62.06 -55.05 33.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.424 ' CD1' HD11 ' A' ' 90' ' ' ILE . 2.5 mt -61.24 -47.47 93.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 120' ' ' ARG . 4.3 mt-30 -54.01 -49.21 69.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.454 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -50.9 -47.65 60.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.489 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.02 -57.68 4.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 56.7 p -49.58 -30.47 8.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 116' ' ' GLN . 54.2 mmt-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 7.6 mt -87.84 165.21 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.508 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -136.03 -43.04 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -137.31 147.85 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -153.96 147.35 24.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.18 -167.69 39.47 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.6 p -112.44 140.24 47.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.2 mt -136.59 173.95 11.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.59 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -110.29 99.38 8.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.535 ' HE2' ' CD1' ' A' ' 98' ' ' TYR . 25.6 tttt -86.53 119.67 27.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.541 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 8.7 t -110.47 136.27 46.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -153.32 155.29 36.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -85.18 147.87 26.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -140.7 113.83 8.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.558 HD11 ' CE1' ' A' ' 51' ' ' TYR . 80.6 mt -108.02 135.04 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.8 tp -107.91 143.53 36.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.496 ' CA ' HD13 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -147.8 121.2 9.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -99.88 146.58 26.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.499 ' N ' ' C ' ' A' ' 45' ' ' PRO . 19.7 t0 46.39 77.41 0.46 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.499 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.5 Cg_endo -74.97 166.96 81.86 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.003 0.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.78 104.32 16.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.49 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 8.1 m-85 -148.51 168.52 22.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.491 ' O ' ' CD1' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -140.7 110.72 6.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.554 ' CE1' ' HB2' ' A' ' 62' ' ' ALA . 57.4 m80 -106.72 148.73 28.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.575 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.404 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 15.5 p90 -135.6 131.43 35.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.558 ' CE1' HD11 ' A' ' 40' ' ' ILE . 18.2 m-85 -117.14 159.94 21.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 55' ' ' GLY . 7.4 t70 -65.44 138.37 96.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -43.17 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.38 -38.16 51.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.405 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . 149.66 138.05 2.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -171.45 176.93 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -122.02 -58.92 1.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.01 152.25 48.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.494 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 131.77 14.65 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.762 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.404 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 mt -52.54 -30.04 28.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 179.29 -154.46 13.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.554 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . . . -165.25 151.91 10.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 0.777 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.422 ' CG2' HG22 ' A' ' 92' ' ' THR . 20.5 mt -113.46 123.96 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.49 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 4.5 t-160 -68.97 133.96 48.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.609 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.401 HD11 ' CA ' ' A' ' 47' ' ' TYR . 6.6 mt -121.66 14.65 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.454 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 6.1 ptt180 -55.24 -29.32 57.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.41 ' N ' ' HG3' ' A' ' 66' ' ' ARG . . . -158.87 26.51 0.38 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.0 p -66.77 170.05 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 70' ' ' VAL . 28.0 t -124.72 155.89 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.453 ' CG1' HG12 ' A' ' 112' ' ' ILE . 23.8 t -120.39 139.54 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.504 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -158.61 175.01 14.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.41 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.66 157.68 20.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.433 HG11 ' CE2' ' A' ' 99' ' ' PHE . 30.1 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -73.98 112.23 9.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.66 178.38 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 10.0 p90 -161.52 155.09 21.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.504 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 8.4 tt0 -105.49 134.65 48.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 91.3 mt -127.05 105.25 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.2 mt -81.63 141.76 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.422 HG22 ' CG2' ' A' ' 63' ' ' ILE . 50.6 p -103.39 -170.33 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.36 -22.76 61.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.467 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -90.95 -1.0 57.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.54 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.8 mt-10 83.02 0.78 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.564 HG11 ' CE2' ' A' ' 98' ' ' TYR . 47.6 t -58.68 133.56 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 11.2 m-70 -107.02 136.89 46.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.617 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.564 ' CE2' HG11 ' A' ' 96' ' ' VAL . 41.9 m-85 -131.96 135.71 46.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.433 ' CE2' HG11 ' A' ' 73' ' ' VAL . 3.1 m-85 -111.84 107.05 15.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -111.38 128.49 55.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -93.71 138.22 32.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -104.5 163.82 12.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.76 -59.99 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 65.3 p -101.87 162.07 21.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.1 21.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.771 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -87.72 -28.83 21.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ARG . 2.0 tt0 -69.64 -55.95 8.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.482 ' HG2' ' CD1' ' A' ' 88' ' ' PHE . 2.8 tmm_? -38.61 -44.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -68.59 -48.08 65.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 114' ' ' ALA . 3.6 mt-10 -52.66 -54.16 37.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -46.0 -56.45 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 107.986 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.453 HG12 ' CG1' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -44.31 -62.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -57.43 -28.64 63.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.471 ' HA ' ' CE ' ' A' ' 117' ' ' MET . . . -68.06 -54.66 16.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.5 mt -59.43 -42.16 86.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -58.0 -52.52 65.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -45.03 -43.16 9.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -75.49 -60.83 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.6 p -47.0 -29.53 2.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 54.7 mmt-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.458 HG12 ' CG2' ' A' ' 40' ' ' ILE . 25.0 mt -100.57 158.23 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.441 HD11 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -122.74 -41.45 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HD3' ' CE2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -157.34 128.35 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.45 ' NE2' HG22 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -146.63 156.85 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.16 -149.06 10.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.3 m -108.08 143.69 36.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 13.3 mt -144.45 159.61 42.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.513 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -102.14 98.82 8.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -91.66 126.74 36.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.5 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 42.5 t -56.99 141.57 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -154.75 145.03 21.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -80.49 135.15 36.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 14.5 m-85 -130.62 120.53 24.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.529 HD12 ' CD1' ' A' ' 51' ' ' TYR . 44.4 mt -111.45 128.69 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' HG21 ' A' ' 18' ' ' ILE . 16.0 tp -109.73 133.53 53.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.509 ' CZ ' ' ND1' ' A' ' 49' ' ' HIS . 8.4 ptp180 -138.87 127.45 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.482 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -101.26 138.64 38.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.267 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.516 ' N ' ' C ' ' A' ' 45' ' ' PRO . 7.8 t0 57.79 76.46 0.47 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.516 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.03 166.74 82.47 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.973 0.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.09 96.18 8.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.437 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 6.3 m-85 -146.23 151.22 37.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.414 HD11 ' CD1' ' A' ' 63' ' ' ILE . 1.5 tm? -117.25 111.28 19.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 62' ' ' ALA . 63.6 m80 -107.58 125.08 50.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.581 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.594 ' CE1' ' HB2' ' A' ' 60' ' ' LEU . 34.9 p90 -119.81 128.06 53.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 59' ' ' PRO . 16.1 m-85 -109.77 156.74 19.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -69.03 141.88 92.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -50.31 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.76 -33.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.479 ' O ' ' CB ' ' A' ' 56' ' ' ALA . . . 143.1 158.84 7.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 55' ' ' GLY . . . 164.97 170.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -115.73 -61.45 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.2 154.76 66.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.99 144.32 30.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.594 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -55.8 -42.06 75.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -175.67 -153.88 10.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.575 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . . . -148.77 134.31 18.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.459 ' CG2' HG21 ' A' ' 92' ' ' THR . 10.1 mt -100.69 126.0 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.58 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 8.7 t60 -66.89 119.42 11.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.615 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.5 mt -112.61 -14.12 13.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.58 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -38.56 -68.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -118.13 43.77 1.55 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 19.6 p -81.79 -174.09 4.82 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -139.79 146.48 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.473 ' CG1' HG12 ' A' ' 112' ' ' ILE . 31.0 t -113.72 140.07 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.491 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -157.82 170.39 22.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.16 155.77 24.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 88' ' ' PHE . 22.7 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -84.27 118.33 24.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.47 ' CD2' ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -131.83 178.51 6.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.092 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 5.6 p90 -164.09 150.8 11.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.491 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 29.4 tt0 -101.68 142.83 32.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 62.1 mt -135.2 107.69 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 68' ' ' CYS . 2.3 mt -86.95 143.52 11.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.459 HG21 ' CG2' ' A' ' 63' ' ' ILE . 70.0 p -108.18 174.22 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.32 -18.32 36.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.432 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 16.5 t70 -93.05 -2.61 55.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.9 mt-10 80.54 4.15 1.74 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' A' ' 94' ' ' ASP . 42.0 t -64.43 131.55 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 9.4 m-70 -104.23 145.4 30.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -137.12 140.55 41.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -116.69 108.31 15.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -117.39 127.7 54.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.47 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 5.5 tt0 -93.38 125.29 37.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -89.34 140.44 29.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.82 -63.84 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.18 165.47 18.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.387 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -16.65 20.0 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.788 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -82.21 -40.96 20.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.5 -44.25 93.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.497 ' C ' ' CD ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -49.26 -47.42 46.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.409 ' N ' ' HD2' ' A' ' 108' ' ' ARG . 1.0 OUTLIER -75.29 -51.04 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.424 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 114' ' ' ALA . 3.3 mt-10 -49.11 -54.58 15.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.452 ' O ' ' N ' ' A' ' 114' ' ' ALA . 0.5 OUTLIER -43.73 -61.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' A' ' 70' ' ' VAL . 1.3 mt -41.65 -65.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.11 -30.9 39.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 110' ' ' GLU . . . -65.04 -51.49 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.2 mt -62.36 -48.32 88.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -53.17 -49.91 65.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.447 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.4 OUTLIER -47.9 -47.72 31.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.482 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.13 -59.93 2.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 64.6 p -44.79 -44.12 9.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.952 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.432 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 8.1 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.434 ' CG2' ' HG3' ' A' ' 21' ' ' GLN . 3.8 mt -113.39 171.09 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.472 HD11 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -143.9 -44.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.541 ' HD2' ' CE3' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -147.77 130.92 16.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.434 ' HG3' ' CG2' ' A' ' 18' ' ' ILE . 31.8 mt-30 -131.66 137.14 48.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.66 -149.65 7.78 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.2 p -130.71 149.0 52.56 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.497 HD13 ' CD1' ' A' ' 111' ' ' TRP . 33.6 mt -146.14 161.83 39.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.557 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -103.87 102.52 12.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.501 ' HE3' ' CE1' ' A' ' 98' ' ' TYR . 5.8 tttt -85.1 111.14 19.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.472 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 39.0 t -60.78 139.85 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.411 ' N ' HG12 ' A' ' 36' ' ' VAL . 11.0 mtt180 -151.58 140.53 21.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -81.3 97.0 7.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 10.3 m-85 -87.62 118.42 27.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.529 HD11 ' CD1' ' A' ' 51' ' ' TYR . 63.8 mt -111.77 129.17 67.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.4 tp -108.31 134.61 50.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.472 ' CA ' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -137.0 127.91 27.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -104.07 138.92 39.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.501 ' N ' ' C ' ' A' ' 45' ' ' PRO . 1.3 m-20 58.17 76.99 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.501 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.98 170.6 71.39 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.036 -0.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.51 101.4 13.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.463 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 8.7 m-85 -147.99 164.28 34.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -139.77 111.16 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.478 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 53.8 m80 -106.46 148.41 28.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.61 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 21.6 p90 -132.07 120.72 22.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.53 ' CE2' ' HB3' ' A' ' 59' ' ' PRO . 14.4 m-85 -107.95 168.2 9.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -79.87 137.24 54.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -35.52 3.12 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 111.019 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.02 -37.25 52.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.91 -99.41 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 61.82 -167.89 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -151.49 -57.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.75 154.04 73.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.99 131.49 14.35 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.551 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 2.0 mt -57.17 -29.64 63.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 176.12 -168.21 40.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.478 ' HB1' ' CE1' ' A' ' 49' ' ' HIS . . . -151.74 153.55 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.468 ' CD1' HD12 ' A' ' 48' ' ' LEU . 18.3 mt -115.23 118.96 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.499 ' CG ' ' HG2' ' A' ' 66' ' ' ARG . 5.1 t-160 -66.76 128.86 37.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.628 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 mt -117.04 15.38 15.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.499 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 3.7 ptt180 -53.23 -24.28 10.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -166.78 30.03 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.9 p -67.76 171.39 6.54 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.1 t -127.44 153.16 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.456 ' CG2' ' HG2' ' A' ' 116' ' ' GLN . 23.3 t -118.9 138.8 48.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.504 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -158.19 172.91 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.443 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.19 163.3 13.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.036 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.466 HG13 ' CD2' ' A' ' 99' ' ' PHE . 12.3 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -154.61 -77.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.465 ' HA ' ' O ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER 62.33 -177.7 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 20.8 p90 -165.36 153.43 11.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.504 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 26.5 tt0 -99.73 145.08 28.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.408 ' CD1' HD12 ' A' ' 115' ' ' ILE . 75.3 mt -141.36 103.81 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -81.99 140.83 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.467 HG21 ' CG2' ' A' ' 63' ' ' ILE . 39.3 p -101.34 -173.08 2.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.11 -15.86 62.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 0.4 OUTLIER -96.79 0.26 49.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.547 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 7.0 mt-10 81.71 -1.13 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.421 HG11 ' CZ ' ' A' ' 98' ' ' TYR . 21.9 t -58.63 135.4 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 12.0 m-70 -108.08 141.9 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.501 ' CE1' ' HE3' ' A' ' 26' ' ' LYS . 57.9 m-85 -138.49 131.67 30.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.466 ' CD2' HG13 ' A' ' 73' ' ' VAL . 77.1 m-85 -110.92 106.2 15.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -103.22 137.77 40.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.507 ' OE1' ' CD2' ' A' ' 25' ' ' LEU . 2.1 tt0 -92.48 127.1 37.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.95 133.06 43.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.0 -39.89 63.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.405 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 11.3 p -131.07 166.38 28.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -75.01 -20.83 16.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -37.83 70.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -68.8 -43.84 74.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.464 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 5.1 ttp180 -48.27 -47.45 36.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.89 -44.27 66.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.0 mt-10 -57.41 -60.42 3.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.541 ' CE3' ' HD2' ' A' ' 20' ' ' LYS . 1.5 m95 -42.23 -59.34 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 107.994 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.464 ' CD1' ' O ' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -43.36 -66.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.1 -24.66 18.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 110' ' ' GLU . . . -72.75 -57.74 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.408 HD12 ' CD1' ' A' ' 90' ' ' ILE . 2.1 mp -57.84 -39.1 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.456 ' HG2' ' CG2' ' A' ' 70' ' ' VAL . 4.4 mt-30 -61.21 -51.45 68.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -47.78 -42.81 26.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -74.39 -58.19 3.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.1 p -50.23 -29.62 9.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 116' ' ' GLN . 14.4 mmt85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.466 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 39.4 mt -107.54 165.45 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.521 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -143.9 -45.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HG2' ' CD2' ' A' ' 111' ' ' TRP . 4.3 tptt -123.62 146.72 47.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -156.78 143.76 18.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.19 -171.92 36.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.7 p -103.63 144.73 31.06 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 20.9 mt -139.48 159.76 41.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -102.32 99.22 9.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -88.99 124.41 34.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.409 HG21 ' CD1' ' A' ' 25' ' ' LEU . 17.7 t -83.73 140.58 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.1 154.41 30.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 50' ' ' TYR . 7.5 tttt -84.76 143.48 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.097 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 8.3 m-85 -139.97 113.25 8.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.44 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 76.0 mt -110.96 137.05 45.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.9 tp -108.95 142.16 40.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 45' ' ' PRO . 22.3 mtp180 -138.84 123.08 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' HG2' ' CD1' ' A' ' 19' ' ' ILE . 2.2 pt-20 -100.1 136.27 40.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.467 ' N ' ' C ' ' A' ' 45' ' ' PRO . 34.4 t0 55.4 78.42 0.38 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.467 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.01 172.18 64.33 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.989 -2.505 . . . . 0.0 110.993 0.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.6 95.77 7.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.409 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 5.8 m-85 -140.91 157.39 45.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.448 ' O ' ' CD1' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -131.88 110.64 10.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -103.75 154.4 19.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.586 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.593 ' CE1' ' C ' ' A' ' 61' ' ' GLY . 1.5 p90 -145.95 122.72 11.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 59' ' ' PRO . 4.4 m-85 -110.53 165.2 11.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 8.9 t0 -68.61 139.52 91.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -49.81 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.425 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -41.67 -44.79 3.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.8 135.58 2.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -165.7 -148.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.38 -46.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -97.4 149.75 36.05 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.528 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -75.0 129.21 12.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mt -48.97 -27.5 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.593 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . 173.19 -170.94 44.09 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.57 158.47 43.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.794 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.529 HG22 ' CE2' ' A' ' 98' ' ' TYR . 17.9 mt -124.46 110.57 25.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 7.5 t-160 -59.26 129.57 42.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.644 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.0 mt -109.48 22.08 16.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.566 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -72.23 82.92 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.2 28.85 52.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.6 p -69.4 173.19 6.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 36.3 t -122.5 149.01 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.43 ' CG1' HG12 ' A' ' 112' ' ' ILE . 25.1 t -120.52 138.08 52.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.491 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.4 t -158.68 175.42 13.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.82 163.13 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 88' ' ' PHE . 10.7 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -81.67 126.66 32.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.442 ' CD2' ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -136.69 166.29 23.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 7.0 p90 -152.52 151.04 30.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.491 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 6.4 tt0 -100.01 145.43 27.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.468 HD11 ' CE1' ' A' ' 88' ' ' PHE . 93.5 mt -138.4 106.09 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.6 mt -86.9 142.8 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.1 p -106.79 179.15 4.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.73 -16.23 60.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.411 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 29.0 t70 -95.86 -1.09 50.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.565 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 79.27 5.05 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.545 HG12 ' CE2' ' A' ' 98' ' ' TYR . 43.7 t -65.28 129.98 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.565 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 7.5 m-70 -102.91 143.94 31.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.626 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.545 ' CE2' HG12 ' A' ' 96' ' ' VAL . 72.0 m-85 -136.3 135.47 38.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.47 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 60.7 m-85 -111.52 107.49 16.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.4 OUTLIER -115.61 132.63 56.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.442 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 3.9 tt0 -96.88 123.76 40.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.18 134.03 35.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.167 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.76 -65.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 63.9 p -96.01 162.43 23.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.443 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.74 21.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -91.03 -28.23 18.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -71.06 -35.79 72.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.302 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -58.9 -44.88 91.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -69.26 -41.76 76.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.4 mt-10 -58.8 -59.8 4.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.445 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 9.4 m95 -43.83 -60.61 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 107.981 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.43 HG12 ' CG1' ' A' ' 70' ' ' VAL . 3.1 mt -41.08 -66.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.38 -30.85 42.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.463 ' HA ' ' CE ' ' A' ' 117' ' ' MET . . . -66.07 -56.11 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.5 mt -57.72 -36.43 54.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.093 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 120' ' ' ARG . 4.4 mt-30 -64.09 -51.44 64.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -48.37 -42.19 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.427 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -69.58 -66.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 30.3 t -48.83 -29.01 4.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' GLN . 18.4 mmt-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.486 ' CG2' ' HG3' ' A' ' 21' ' ' GLN . 24.1 mm -105.35 143.55 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.476 HD13 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -112.19 -27.54 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -168.91 147.26 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.486 ' HG3' ' CG2' ' A' ' 18' ' ' ILE . 59.9 mt-30 -140.02 159.78 41.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.63 -170.48 35.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.1 p -106.49 159.87 15.84 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.505 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 12.6 mt -154.03 152.66 30.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -96.65 100.22 11.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -89.97 119.23 30.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.431 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 41.5 t -63.68 142.81 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.03 151.97 22.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 50' ' ' TYR . 8.1 tptt -83.21 141.65 31.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.505 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 10.2 m-85 -137.62 113.62 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.446 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 66.3 mt -109.17 132.52 57.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.5 tp -108.12 135.56 49.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.476 ' CA ' HD13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -139.15 126.49 21.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -101.67 138.82 38.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.507 ' N ' ' C ' ' A' ' 45' ' ' PRO . 52.2 t0 58.45 76.58 0.45 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.507 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.5 Cg_endo -75.01 164.91 87.31 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.044 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.54 96.79 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.425 ' N ' HD13 ' A' ' 65' ' ' LEU . 5.2 m-85 -144.89 162.86 35.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.157 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 63' ' ' ILE . 1.5 tm? -130.77 111.04 11.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.578 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 45.1 m80 -105.69 140.62 38.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.615 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.576 ' CE1' ' O ' ' A' ' 61' ' ' GLY . 3.0 p90 -134.42 125.87 28.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.53 ' CE2' ' HB3' ' A' ' 59' ' ' PRO . 3.4 m-85 -113.11 159.94 18.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 12.0 t70 -64.39 143.08 98.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -46.01 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.475 1.776 . . . . 0.0 110.958 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.409 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -60.41 -31.95 70.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.94 157.07 7.07 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.475 1.109 . . . . 0.0 111.056 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 171.12 -33.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 76.15 -69.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.84 149.32 96.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.96 133.92 17.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.27 -29.6 63.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.576 ' O ' ' CE1' ' A' ' 50' ' ' TYR . . . 170.76 173.66 38.1 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.578 ' HB1' ' CE1' ' A' ' 49' ' ' HIS . . . -118.7 166.73 12.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.47 ' CD1' HD11 ' A' ' 48' ' ' LEU . 35.7 mt -133.7 113.93 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.616 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 2.0 t-80 -56.43 124.99 20.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.628 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.425 HD13 ' N ' ' A' ' 47' ' ' TYR . 72.3 mt -110.72 -29.62 7.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.616 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 3.3 mtt-85 -36.59 -50.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.346 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.05 56.37 0.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.3 p -106.08 178.68 4.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 91' ' ' ILE . 46.3 t -140.47 141.57 32.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 116' ' ' GLN . 37.4 t -108.12 138.44 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.486 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.2 t -157.18 175.84 13.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.97 144.91 42.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.02 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -79.94 123.57 27.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.488 ' CD2' ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -132.7 -177.67 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 14.7 p90 -169.97 149.63 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.486 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 5.4 tt0 -99.88 138.5 36.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.7 mt -131.71 108.79 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 69' ' ' VAL . 2.6 mt -88.73 141.88 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.451 HG21 ' CG2' ' A' ' 63' ' ' ILE . 34.5 p -104.7 -179.58 3.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.28 -15.17 62.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 1.5 m-20 -97.33 -0.19 46.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.598 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 78.7 5.43 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.438 HG11 ' CZ ' ' A' ' 98' ' ' TYR . 20.1 t -63.95 131.26 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 12.6 m-70 -102.92 138.17 40.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.566 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.438 ' CZ ' HG11 ' A' ' 96' ' ' VAL . 61.1 m-85 -133.3 134.33 43.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -111.33 107.57 16.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -114.79 128.48 56.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.488 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 4.6 tt0 -93.47 129.04 39.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.15 122.5 41.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.76 -63.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.9 p -93.82 164.12 21.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.431 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -16.0 20.56 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.525 1.802 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.94 -48.75 12.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.522 ' HG3' ' CD1' ' A' ' 111' ' ' TRP . 1.9 tp10 -50.18 -48.95 53.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -43.96 37.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.81 -50.46 24.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 114' ' ' ALA . 6.7 mt-10 -52.83 -56.83 12.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.522 ' CD1' ' HG3' ' A' ' 107' ' ' GLU . 3.7 m95 -43.6 -59.16 2.3 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.447 HG12 ' CG1' ' A' ' 70' ' ' VAL . 1.7 mt -41.03 -66.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -55.68 -29.98 60.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 110' ' ' GLU . . . -62.55 -57.22 11.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.455 HG21 ' CG2' ' A' ' 70' ' ' VAL . 1.7 mp -58.8 -40.28 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.465 ' HG2' ' CG2' ' A' ' 70' ' ' VAL . 4.4 mt-30 -60.54 -50.42 73.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.456 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -50.06 -44.13 51.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.444 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -74.79 -59.73 2.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.7 p -47.59 -34.63 8.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 110.327 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 21' ' ' GLN . 48.6 mm -94.06 144.79 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.476 HD13 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -110.91 -40.68 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -150.95 150.07 30.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.469 ' HG3' ' CG2' ' A' ' 18' ' ' ILE . 48.9 mt-30 -146.48 158.43 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.9 -171.97 37.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.0 p -110.47 139.17 45.94 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 mt -131.89 162.46 30.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -100.67 99.23 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -86.47 116.8 24.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mttp . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.521 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 40.5 t -64.25 140.59 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -156.08 154.62 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.88 131.44 35.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -127.44 112.86 15.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.501 ' CD1' ' CE1' ' A' ' 51' ' ' TYR . 51.5 mt -107.47 129.14 61.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.1 tp -107.51 135.87 48.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.476 ' CA ' HD13 ' A' ' 19' ' ' ILE . 4.4 ptp180 -138.29 126.03 22.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.07 144.19 30.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.516 ' N ' ' C ' ' A' ' 45' ' ' PRO . 15.6 t70 57.82 76.12 0.49 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.516 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -75.01 169.41 74.64 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.998 0.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.49 96.69 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.559 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 6.7 m-85 -145.37 161.59 39.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 40' ' ' ILE . 1.1 tm? -131.75 110.97 11.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -105.22 147.87 27.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.63 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.496 ' CE1' ' C ' ' A' ' 61' ' ' GLY . 2.1 p90 -132.95 149.9 52.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.615 ' N ' ' CD1' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -137.22 148.26 46.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 110.977 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 55' ' ' GLY . 1.1 t70 -61.78 138.7 95.44 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.441 ' C ' ' N ' ' A' ' 55' ' ' GLY . 18.4 Cg_endo -75.01 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -41.38 -29.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 53' ' ' PRO . . . 129.91 137.57 4.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -168.29 179.51 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -115.22 -53.23 2.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -102.14 152.81 38.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.562 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.0 144.97 30.88 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.793 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -58.92 -44.84 91.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.496 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . -172.9 -164.71 28.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.5 163.09 37.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.469 ' CG2' ' CG2' ' A' ' 92' ' ' THR . 19.9 mt -119.17 116.95 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.559 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 5.7 t-160 -61.66 119.49 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.602 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.3 mt -102.59 10.64 38.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.491 ' HD2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -52.4 -60.99 2.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.3 35.29 2.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 15.6 p -74.93 175.61 7.93 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -137.9 151.09 25.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 116' ' ' GLN . 25.0 t -116.37 138.59 46.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.498 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -153.83 175.73 12.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.413 ' N ' HG22 ' A' ' 71' ' ' THR . 0.3 OUTLIER -118.69 162.59 18.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.2 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.342 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.465 ' ND2' ' CA ' ' A' ' 105' ' ' PRO . 69.5 m-80 -90.07 111.05 22.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.31 178.17 4.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 33.1 p90 -165.94 156.05 12.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.498 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 36.2 tt0 -105.93 149.97 26.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 52.9 mt -143.35 109.35 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -86.83 141.27 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.469 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 42.3 p -102.26 -165.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.03 -21.48 56.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.444 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 0.2 OUTLIER -93.89 2.35 56.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.594 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.7 mt-10 80.0 2.13 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.521 HG13 ' CZ ' ' A' ' 98' ' ' TYR . 24.8 t -59.87 130.16 23.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 9.1 m-70 -103.5 141.34 36.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.604 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.521 ' CZ ' HG13 ' A' ' 96' ' ' VAL . 44.2 m-85 -134.8 128.89 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -111.39 107.44 16.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.4 OUTLIER -110.49 145.74 37.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -97.92 122.86 41.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.17 121.25 34.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.06 -62.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.4 p -100.26 162.48 20.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 110.424 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.465 ' CA ' ' ND2' ' A' ' 86' ' ' ASN . 18.4 Cg_endo -75.0 -7.65 19.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -91.55 -33.27 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.44 -39.34 94.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.423 ' NH1' ' O ' ' A' ' 105' ' ' PRO . 1.7 tmm_? -57.82 -45.21 86.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -71.27 -41.91 69.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 110.364 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.9 mt-10 -60.32 -55.58 31.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' ALA . 6.1 m95 -45.92 -59.77 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 108.009 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.431 HG12 ' CG1' ' A' ' 70' ' ' VAL . 0.7 OUTLIER -43.2 -64.14 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.97 -26.86 39.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 111' ' ' TRP . . . -72.18 -57.43 4.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.7 mp -58.16 -43.38 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.46 ' HG2' ' CG2' ' A' ' 70' ' ' VAL . 4.6 mt-30 -57.74 -52.08 66.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.454 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -48.17 -44.93 32.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.444 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -69.78 -66.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 118' ' ' ALA . 86.3 p -37.98 -49.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 68.3 mtt-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.243 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 13.8 mt -92.51 165.23 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.495 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -131.19 -44.02 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -145.95 147.52 31.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -146.5 157.66 43.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.68 179.26 31.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.152 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.6 p -98.1 142.76 29.39 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.3 mt -135.73 164.18 28.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -103.15 98.51 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -90.95 127.95 36.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.513 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 23.0 t -72.67 135.21 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -150.65 158.6 44.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -88.7 139.79 30.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 50' ' ' TYR . 10.4 m-85 -135.63 114.63 12.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.454 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 71.3 mt -108.78 131.79 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.6 tp -109.28 136.89 48.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.468 ' CA ' HD13 ' A' ' 19' ' ' ILE . 17.6 ptp180 -141.35 126.2 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -100.74 142.67 31.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.509 ' N ' ' C ' ' A' ' 45' ' ' PRO . 9.4 t70 57.77 76.42 0.47 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.509 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.0 169.34 74.82 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.013 -0.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.78 97.08 9.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.416 ' N ' HD11 ' A' ' 65' ' ' LEU . 6.7 m-85 -149.35 152.38 35.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.454 ' CD2' ' O ' ' A' ' 40' ' ' ILE . 0.8 OUTLIER -115.84 114.86 25.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.407 ' NE2' ' HB1' ' A' ' 62' ' ' ALA . 32.3 m80 -106.23 125.69 51.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.63 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 29.8 p90 -122.25 131.83 54.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 59' ' ' PRO . 6.2 m-85 -119.13 160.6 21.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -70.28 143.63 91.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -49.98 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.544 1.813 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -43.35 -35.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.09 149.93 5.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -179.81 176.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 109.333 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.35 -58.17 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.22 154.98 47.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.564 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.92 126.65 10.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 3.8 mt -42.87 -28.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 59' ' ' PRO . . . 168.86 -166.26 39.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.407 ' HB1' ' NE2' ' A' ' 49' ' ' HIS . . . -141.31 147.62 38.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.461 ' CG2' HG22 ' A' ' 92' ' ' THR . 49.1 mt -110.7 128.42 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.526 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 25.4 t60 -63.71 126.46 27.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.649 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' ' 66' ' ' ARG . 49.2 mt -118.5 -34.53 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.526 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 7.8 mtt180 -30.96 -45.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.47 ' H ' ' CD2' ' A' ' 64' ' ' HIS . . . -137.24 58.56 0.64 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.567 1.167 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 20.4 p -105.24 -177.48 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.7 t -137.55 147.27 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.469 ' CG1' HG12 ' A' ' 112' ' ' ILE . 38.4 t -114.53 140.6 34.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.474 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.0 OUTLIER -157.7 175.88 13.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 110.373 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.33 153.66 32.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.046 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 88' ' ' PHE . 16.0 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -74.2 109.5 7.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.471 ' CD2' ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -115.04 -179.24 3.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 12.8 p90 -169.14 149.02 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.474 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 6.2 tt0 -99.63 140.76 33.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.427 ' N ' ' HG2' ' A' ' 89' ' ' GLU . 80.6 mt -132.67 103.45 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 68' ' ' CYS . 2.4 mt -83.4 143.84 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.461 HG22 ' CG2' ' A' ' 63' ' ' ILE . 68.2 p -110.12 175.25 5.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.485 ' CB ' ' CD2' ' A' ' 64' ' ' HIS . . . -59.09 -20.22 51.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -91.61 -1.96 57.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.612 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 78.62 5.43 2.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.508 HG11 ' CZ ' ' A' ' 98' ' ' TYR . 45.5 t -63.46 132.97 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.612 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 11.0 m-70 -106.97 138.18 43.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.508 ' CZ ' HG11 ' A' ' 96' ' ' VAL . 61.5 m-85 -132.18 141.77 49.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -115.51 109.15 17.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.5 OUTLIER -117.29 139.52 50.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.471 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 4.3 tt0 -105.51 125.56 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.4 124.13 36.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.93 -53.18 6.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.403 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 38.4 p -108.07 163.28 17.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.403 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.96 -15.99 20.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -84.51 -31.53 24.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.08 -40.79 82.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.02 -46.71 71.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.9 -41.57 78.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.428 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.88 -52.94 63.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 14.3 m95 -50.64 -61.24 2.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 108.002 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.469 HG12 ' CG1' ' A' ' 70' ' ' VAL . 1.0 OUTLIER -40.38 -62.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.76 -39.56 71.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.07 -55.56 31.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mt -58.86 -43.24 87.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -57.08 -52.01 67.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.435 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -47.97 -46.43 32.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.963 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -69.55 -65.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 79.9 p -43.49 -33.47 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.502 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 15.9 mt -93.35 165.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.502 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -141.17 -43.38 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HG2' ' CD2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -132.64 146.69 52.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.409 ' NE2' HG21 ' A' ' 18' ' ' ILE . 34.6 mt-30 -154.85 149.21 26.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.71 -170.9 34.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.2 m -99.85 152.2 20.41 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.535 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 16.6 mt -150.08 155.21 39.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -97.39 98.8 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -89.75 122.66 33.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HG2' ' CZ ' ' A' ' 37' ' ' ARG . 2.2 tttt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.445 HG23 ' CD1' ' A' ' 25' ' ' LEU . 16.4 t -79.75 135.28 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 35' ' ' LYS . 78.9 mtt-85 -153.06 152.2 31.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -80.36 141.65 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.535 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 8.1 m-85 -136.46 114.38 11.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.442 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 72.2 mt -109.86 132.0 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.411 ' CD1' HD13 ' A' ' 65' ' ' LEU . 30.4 tp -108.38 139.02 43.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.473 ' CA ' HD12 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -140.52 126.92 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -102.47 143.99 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.233 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.518 ' N ' ' C ' ' A' ' 45' ' ' PRO . 28.2 t70 54.28 76.06 0.56 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.518 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.0 170.49 71.71 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.973 0.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.33 95.97 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.651 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 5.7 m-85 -142.34 163.23 33.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.442 ' CD2' ' O ' ' A' ' 40' ' ' ILE . 0.7 OUTLIER -133.76 111.1 10.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 62' ' ' ALA . 63.6 m80 -102.76 144.7 30.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -136.48 122.43 20.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 59' ' ' PRO . 12.9 m-85 -109.86 158.76 17.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 9.0 t70 -68.4 140.16 92.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.515 1.798 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.417 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -44.44 -30.08 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.25 142.13 4.28 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -169.77 -176.99 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -120.8 -63.54 1.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -93.69 162.29 27.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.529 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.96 128.17 11.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -47.32 -30.82 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 178.78 -162.29 29.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.548 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . . . -156.22 152.25 27.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.419 HG22 ' CE1' ' A' ' 98' ' ' TYR . 13.6 mt -117.36 115.71 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.651 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 6.4 t-160 -64.05 128.74 37.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.616 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.419 HD11 ' N ' ' A' ' 47' ' ' TYR . 25.9 mt -106.03 16.6 24.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.558 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -70.94 87.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.73 20.33 66.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.9 p -61.25 176.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.6 t -135.07 140.09 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.484 ' CG1' HG12 ' A' ' 112' ' ' ILE . 25.6 t -110.58 138.92 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.467 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -158.23 168.74 26.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.46 162.43 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.417 ' HG3' ' NE2' ' A' ' 101' ' ' GLN . 6.8 mt-10 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -85.11 114.29 22.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.444 ' CD2' ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -123.52 170.48 10.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 19.4 p90 -156.7 148.84 23.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 3.9 tt0 -99.87 136.76 39.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 115' ' ' ILE . 75.7 mt -130.03 116.91 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.4 mt -95.55 144.11 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.402 HG21 ' CG2' ' A' ' 63' ' ' ILE . 36.9 p -106.46 -172.2 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.41 1.069 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.73 -7.7 51.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.432 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 0.1 OUTLIER -105.62 2.14 27.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.504 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.3 mt-10 77.41 4.49 3.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.536 HG11 ' CE1' ' A' ' 98' ' ' TYR . 48.9 t -66.11 128.93 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.6 m-70 -100.91 144.3 30.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.607 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.536 ' CE1' HG11 ' A' ' 96' ' ' VAL . 79.0 m-85 -135.6 127.39 29.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -105.86 109.02 20.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.4 OUTLIER -116.3 132.6 56.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.444 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 3.6 tt0 -97.35 131.01 44.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . -103.24 124.65 49.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -39.67 -62.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 51.4 p -99.27 162.81 20.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -18.27 18.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.6 ttpp -79.0 -28.42 43.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -73.08 -41.47 64.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 110.258 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -46.16 -49.83 16.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.496 ' CG2' ' HD2' ' A' ' 113' ' ' LYS . 2.5 m -68.11 -63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 109' ' ' THR . 8.4 mt-10 -35.27 -57.74 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.435 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 3.0 m95 -49.8 -57.8 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 107.979 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.484 HG12 ' CG1' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -46.49 -63.82 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.496 ' HD2' ' CG2' ' A' ' 109' ' ' THR . 5.2 mtpt -50.19 -37.13 33.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.14 -51.93 67.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.484 HG23 ' CG2' ' A' ' 70' ' ' VAL . 3.6 mt -57.02 -52.31 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 117' ' ' MET . 38.6 mt-30 -49.43 -62.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.438 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.5 OUTLIER -36.89 -48.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -68.87 -53.75 19.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 60.4 p -46.85 -48.77 20.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 32.0 mt -105.06 166.03 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.482 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -140.85 -44.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -133.8 145.98 50.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.409 ' NE2' HG22 ' A' ' 18' ' ' ILE . 32.2 mt-30 -152.61 145.01 24.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.41 -158.33 31.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 93.5 m -124.75 140.26 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.2 mt -131.71 166.8 20.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -104.29 99.48 9.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -85.39 112.33 20.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.498 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 39.5 t -64.42 141.69 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -153.13 148.2 26.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.34 128.31 34.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -124.79 121.36 34.37 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.459 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 86.0 mt -113.75 133.76 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.9 tp -108.02 138.18 44.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 45' ' ' PRO . 14.9 mtt85 -138.74 121.06 15.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.434 ' CB ' ' HA ' ' A' ' 118' ' ' ALA . 0.6 OUTLIER -100.32 143.31 30.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.514 ' N ' ' C ' ' A' ' 45' ' ' PRO . 27.8 t70 51.06 76.51 0.54 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.514 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.05 169.62 74.06 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.954 0.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.13 95.71 7.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.537 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 6.4 m-85 -144.07 146.58 32.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -120.34 110.54 16.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.559 ' CD2' ' CB ' ' A' ' 62' ' ' ALA . 72.4 m80 -108.35 144.91 35.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.578 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 4.6 p90 -128.95 144.51 51.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.613 ' N ' ' CD1' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -131.35 166.19 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 55' ' ' GLY . 3.6 t70 -70.42 132.55 87.62 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.6 5.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.771 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.75 -26.75 24.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.4 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . 128.75 114.1 1.75 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -159.02 -174.24 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -123.71 -65.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -73.85 135.64 77.42 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.577 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.98 130.74 13.58 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.469 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -39.75 -45.8 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.454 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . -170.39 -171.35 35.71 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.559 ' CB ' ' CD2' ' A' ' 49' ' ' HIS . . . -140.17 170.93 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.438 ' CG2' ' CG2' ' A' ' 92' ' ' THR . 14.7 mt -132.65 117.4 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 3.7 t-160 -61.64 127.79 33.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.642 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.452 HD13 ' CA ' ' A' ' 47' ' ' TYR . 21.9 mt -108.47 7.72 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.43 -61.31 2.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.14 36.08 2.81 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.8 p -74.29 179.82 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 70' ' ' VAL . 44.9 t -146.31 149.99 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.41 ' N ' HG11 ' A' ' 69' ' ' VAL . 42.4 t -116.63 142.5 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.426 HG21 ' N ' ' A' ' 72' ' ' SER . 0.5 OUTLIER -157.58 168.59 26.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.426 ' N ' HG21 ' A' ' 71' ' ' THR . 0.1 OUTLIER -113.88 154.99 26.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.009 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.9 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -68.3 118.77 11.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 101' ' ' GLN . 0.5 OUTLIER -114.78 175.22 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 24.1 p90 -169.74 152.25 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.59 ' OE1' ' CD1' ' A' ' 99' ' ' PHE . 0.7 OUTLIER -103.55 136.95 42.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 60.5 mt -126.15 103.92 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -80.26 137.94 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.438 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 48.2 p -97.5 -165.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.48 -19.96 51.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 0.7 OUTLIER -94.26 0.9 55.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.8 mt-10 83.82 -0.54 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.519 HG11 ' CZ ' ' A' ' 98' ' ' TYR . 44.5 t -59.47 132.53 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 3.6 m-70 -107.49 141.66 38.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.552 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.519 ' CZ ' HG11 ' A' ' 96' ' ' VAL . 63.5 m-85 -133.05 128.78 37.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.59 ' CD1' ' OE1' ' A' ' 89' ' ' GLU . 71.7 m-85 -103.8 107.61 18.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.3 mm? -108.51 170.18 8.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.471 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -136.38 133.65 36.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.86 149.12 26.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.16 -66.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.6 p -87.87 162.93 39.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.417 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.15 15.08 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.5 1.789 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.36 -35.61 54.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -60.64 -56.66 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -38.98 -48.49 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -68.91 -53.02 23.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -46.51 -54.27 9.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -49.01 -61.54 2.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 107.971 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -39.68 -64.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -54.23 -42.77 70.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.428 ' HA ' ' CE ' ' A' ' 117' ' ' MET . . . -53.57 -58.48 7.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.7 mt -54.25 -44.96 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.412 ' O ' ' HD2' ' A' ' 120' ' ' ARG . 3.8 mt-30 -55.67 -59.61 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.437 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -40.83 -44.18 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 0.0 110.985 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 119' ' ' SER . . . -70.99 -68.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 118' ' ' ALA . 55.0 p -36.37 -58.12 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.412 ' HD2' ' O ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.488 ' CG2' ' HG3' ' A' ' 21' ' ' GLN . 50.9 mm -90.6 143.64 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.484 HD11 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -112.85 -35.19 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -155.69 148.93 24.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.488 ' HG3' ' CG2' ' A' ' 18' ' ' ILE . 46.0 mt-30 -145.66 168.54 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.23 -174.68 28.74 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.2 m -108.92 134.71 51.23 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.9 mt -130.39 158.94 38.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -94.45 99.89 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HE2' ' CD1' ' A' ' 98' ' ' TYR . 20.5 tttt -86.08 98.07 10.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 5.8 mtpt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.547 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 36.6 t -107.58 142.29 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.69 150.44 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -80.39 142.18 34.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -136.34 122.84 20.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.458 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 69.1 mt -119.46 130.17 74.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.5 tp -107.8 136.84 46.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.484 ' CA ' HD11 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -139.74 124.84 18.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -100.33 142.67 31.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.52 ' N ' ' C ' ' A' ' 45' ' ' PRO . 4.8 m-20 54.36 76.11 0.55 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.52 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.03 168.99 75.78 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.976 -2.51 . . . . 0.0 110.999 0.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.41 100.9 12.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.438 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 9.3 m-85 -149.8 160.45 43.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -129.92 110.37 11.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -105.42 139.82 39.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 2.0 p90 -125.79 150.2 47.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.583 ' N ' ' CD1' ' A' ' 51' ' ' TYR . 1.2 m-85 -136.0 163.71 29.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -74.75 140.27 74.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -40.4 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.71 -43.19 17.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.29 131.22 2.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -161.26 -161.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -128.5 -62.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.85 152.3 40.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.574 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -75.03 134.37 17.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -40.07 -46.44 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.55 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . -171.48 -163.24 25.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.93 162.75 35.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.43 ' CG2' ' CG2' ' A' ' 92' ' ' THR . 13.2 mt -124.45 116.87 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 5.1 t-160 -58.59 132.11 52.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 47' ' ' TYR . 16.8 mt -115.03 -1.01 13.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.553 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -38.53 -64.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -129.2 35.37 2.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.9 p -67.6 171.58 6.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.05 146.06 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.464 ' CG1' HG12 ' A' ' 112' ' ' ILE . 39.7 t -113.12 140.67 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.421 ' N ' HG11 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -157.52 172.99 17.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.45 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.417 ' N ' HG22 ' A' ' 71' ' ' THR . 0.3 OUTLIER -118.97 147.74 43.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 87' ' ' LEU . 33.2 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -92.85 111.72 23.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -126.4 174.26 8.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 19.0 p90 -153.89 148.4 26.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.404 ' HB3' HG21 ' A' ' 71' ' ' THR . 40.2 tt0 -100.24 133.33 44.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 88' ' ' PHE . 89.2 mt -124.96 106.03 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.401 HG12 ' ND1' ' A' ' 97' ' ' HIS . 2.6 mt -83.76 142.49 13.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.43 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 31.7 p -106.38 -179.09 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.451 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.98 -12.94 58.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.412 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 0.6 OUTLIER -98.06 0.21 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.588 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.5 mt-10 77.73 4.46 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.503 HG12 ' CZ ' ' A' ' 98' ' ' TYR . 45.2 t -67.53 130.14 32.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 3.2 m-70 -103.82 147.14 27.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.563 ' CD1' ' HE2' ' A' ' 26' ' ' LYS . 38.3 m-85 -141.57 123.77 15.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -98.89 107.2 19.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 1.6 mm? -108.59 128.59 54.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.468 ' CB ' HD22 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -93.97 116.04 28.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.42 142.03 31.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.36 -62.36 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.4 p -106.62 167.53 9.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -8.09 19.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -88.57 -35.06 17.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -68.13 -44.19 76.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.26 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.15 -46.6 54.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -69.34 -42.31 75.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.399 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.2 mt-10 -59.39 -56.39 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.452 ' O ' ' N ' ' A' ' 114' ' ' ALA . 9.7 m95 -42.28 -61.88 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 108.061 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.464 HG12 ' CG1' ' A' ' 70' ' ' VAL . 2.4 mt -40.16 -68.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -51.33 -31.81 23.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.471 ' HA ' ' CE ' ' A' ' 117' ' ' MET . . . -65.51 -58.14 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.5 mt -59.28 -39.02 77.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' ARG . 3.1 mm100 -61.74 -49.18 77.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -49.47 -43.87 45.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.67 -57.56 4.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 91.6 p -51.84 -31.12 26.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 116' ' ' GLN . 38.0 mmt-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.99 100.06 4.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 0.749 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -165.75 140.96 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.65 142.07 7.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.56 108.71 12.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 110.022 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p 51.4 75.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.1 -86.75 1.63 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.4 p -135.8 163.63 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.574 0.808 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mp -45.62 154.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 11' ' ' LYS . 2.0 tm? -98.21 116.21 29.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -55.43 -168.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -110.31 -46.51 3.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.73 -12.94 52.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.587 ' CD1' ' CZ ' ' A' ' 42' ' ' ARG . 20.3 m-85 -110.76 17.6 20.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.471 ' CD ' HD13 ' A' ' 10' ' ' LEU . 39.7 mmm-85 -78.28 53.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.59 -158.31 8.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 p -127.11 166.57 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.466 HD11 ' CG2' ' A' ' 40' ' ' ILE . 13.3 mm -91.84 143.89 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.481 HD11 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -115.37 -36.92 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HG2' ' CH2' ' A' ' 111' ' ' TRP . 30.7 tttp -156.22 146.76 21.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.423 ' NE2' HG23 ' A' ' 18' ' ' ILE . 34.8 mt-30 -144.29 147.87 34.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.32 -171.08 43.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.6 m -106.61 135.11 48.7 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 101' ' ' GLN . 13.5 mt -131.1 157.1 44.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.575 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -103.69 100.43 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.475 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 37.8 tttt -84.33 127.84 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -81.48 175.58 10.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.77 176.88 20.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -73.94 -52.88 11.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 109.615 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -49.47 -31.63 10.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? 64.83 53.17 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.71 87.41 2.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 58.0 166.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.349 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.569 ' CZ2' ' HG2' ' A' ' 84' ' ' GLU . 4.6 m95 -99.32 176.58 5.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 107.988 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.78 116.45 8.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.461 HG23 ' CD1' ' A' ' 25' ' ' LEU . 39.3 t -58.98 138.42 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' N ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -153.84 141.42 19.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -79.98 98.39 7.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE2' HD11 ' A' ' 48' ' ' LEU . 5.2 m-85 -87.73 113.27 23.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.538 HD13 ' CD1' ' A' ' 51' ' ' TYR . 72.4 mt -106.67 129.87 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.9 tp -107.6 136.78 46.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.587 ' CZ ' ' CD1' ' A' ' 14' ' ' PHE . 1.8 ptm180 -139.05 124.55 19.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -100.01 141.29 33.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.523 ' N ' ' C ' ' A' ' 45' ' ' PRO . 39.9 t0 56.75 75.81 0.54 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.523 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.0 169.97 73.12 Favored 'Cis proline' 0 C--N 1.359 1.107 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.966 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.475 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -98.72 98.74 9.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.684 ' CZ ' ' CD2' ' A' ' 64' ' ' HIS . 6.5 m-85 -145.64 157.81 43.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.564 HD11 ' CE2' ' A' ' 39' ' ' PHE . 1.3 tm? -123.66 110.69 15.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.157 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.535 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 58.5 m80 -105.95 140.31 39.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 27.2 p90 -130.09 120.96 25.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.538 ' CD1' HD13 ' A' ' 40' ' ' ILE . 17.2 m-85 -106.96 175.04 5.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -87.53 139.13 31.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -37.05 2.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.31 -41.59 38.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.49 -95.24 0.11 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.575 1.172 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 62.15 -175.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -137.74 -55.25 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.84 163.26 22.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.519 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.0 133.27 16.37 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 1.3 mt -52.45 -28.19 19.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -178.83 -154.27 12.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.535 ' HB1' ' CE1' ' A' ' 49' ' ' HIS . . . -164.21 150.49 11.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.47 ' CG2' HG22 ' A' ' 92' ' ' THR . 9.7 mt -117.51 119.06 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.684 ' CD2' ' CZ ' ' A' ' 47' ' ' TYR . 4.7 t-160 -65.51 139.22 58.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.568 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 47' ' ' TYR . 14.2 mt -125.03 7.13 7.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.499 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 7.1 ptt180 -45.56 -27.16 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -165.27 36.75 0.27 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.466 1.103 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.1 p -72.1 172.12 10.7 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.4 t -132.38 146.72 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.431 ' CG2' ' HG2' ' A' ' 116' ' ' GLN . 31.8 t -113.43 139.83 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.84 158.47 36.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.411 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.23 157.6 16.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.9 m -103.75 -173.55 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -86.91 -52.3 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 40.41 80.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -43.17 -69.39 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.19 98.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -167.73 140.99 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 106.48 -112.57 3.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.41 166.38 30.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 0.743 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 77.04 -62.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.84 82.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.496 ' CG ' ' OE2' ' A' ' 84' ' ' GLU . 1.6 tp10 -45.87 -52.1 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.569 ' HG2' ' CZ2' ' A' ' 34' ' ' TRP . 4.1 mp0 -138.22 125.07 21.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -130.43 149.69 52.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 58.03 86.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.418 ' CD2' ' HB2' ' A' ' 101' ' ' GLN . 2.1 mt -132.76 170.34 15.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 25.9 p90 -168.99 146.76 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 90' ' ' ILE . 1.1 tt0 -99.93 136.5 39.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.428 ' N ' ' HG2' ' A' ' 89' ' ' GLU . 82.7 mt -126.17 103.53 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -79.51 139.67 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.47 HG22 ' CG2' ' A' ' 63' ' ' ILE . 59.8 p -101.89 -171.54 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.32 -18.57 61.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 2.1 m-20 -94.21 0.04 55.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.5 mt-10 80.93 0.2 1.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.518 HG12 ' CZ ' ' A' ' 98' ' ' TYR . 40.0 t -58.94 135.98 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 8.8 m-70 -108.07 139.9 42.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.603 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.518 ' CZ ' HG12 ' A' ' 96' ' ' VAL . 41.2 m-85 -137.42 125.18 22.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -102.95 107.27 18.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.7 mm? -101.45 173.65 6.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.458 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -139.59 128.03 22.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.55 145.01 27.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.64 -63.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.1 p -91.99 162.14 31.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.438 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -9.22 20.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.791 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -90.58 -33.69 15.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.432 ' HG3' ' CD1' ' A' ' 111' ' ' TRP . 1.9 tt0 -65.67 -45.05 84.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.0 -47.61 44.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -70.62 -52.69 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.445 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -48.73 -53.52 18.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.432 ' CD1' ' HG3' ' A' ' 107' ' ' GLU . 2.9 m95 -47.19 -62.14 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.424 HG12 ' CG1' ' A' ' 70' ' ' VAL . 1.0 OUTLIER -39.82 -66.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -52.64 -37.77 59.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.47 ' HA ' ' CE ' ' A' ' 117' ' ' MET . . . -57.18 -57.29 13.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -58.18 -44.99 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.431 ' HG2' ' CG2' ' A' ' 70' ' ' VAL . 4.4 mt-30 -55.59 -50.29 70.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.47 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -50.41 -44.27 55.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -72.48 -57.89 3.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 80.4 p -48.29 -32.5 7.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.416 ' C ' ' OG1' ' A' ' 121' ' ' THR . 27.6 mmt180 -59.62 -29.05 67.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 46' ' ' ALA . 1.4 p 43.76 -168.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -128.35 29.53 4.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.4 -179.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.78 99.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.026 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -172.68 -158.88 18.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 91.96 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.2 t 74.68 -68.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.1 m 63.54 114.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.958 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.76 142.9 14.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.987 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 p -108.78 -58.18 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.989 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.09 114.53 0.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.448 1.092 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -170.26 158.76 6.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p -106.68 -58.3 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.83 57.42 0.08 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.3 t -131.81 144.93 35.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -41.4 156.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.485 ' CD1' ' O ' ' A' ' 11' ' ' LYS . 2.3 tm? -116.7 118.51 32.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.485 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 11.7 mttt -55.76 -168.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -111.61 -46.49 3.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.519 ' HG3' ' CE1' ' A' ' 14' ' ' PHE . 9.9 pt-20 -65.36 -11.81 45.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.519 ' CE1' ' HG3' ' A' ' 13' ' ' GLU . 20.2 m-30 -112.2 17.46 19.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.446 ' CD ' HD12 ' A' ' 10' ' ' LEU . 16.2 mmm180 -77.15 54.84 1.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -158.65 -176.32 30.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 p -111.82 170.48 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.764 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.527 ' CD1' ' CG2' ' A' ' 40' ' ' ILE . 26.8 mm -91.32 139.22 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.478 HD13 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -112.75 -31.03 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -158.99 149.33 19.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.25 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.479 ' HG3' ' CG2' ' A' ' 18' ' ' ILE . 30.5 mt-30 -152.23 151.14 30.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.57 178.93 35.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.1 m -95.57 148.46 22.49 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.0 mt -141.33 164.32 30.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.574 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -105.99 99.26 8.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' GLN . 16.0 tttt -82.48 107.16 14.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' LYS . 1.8 tm0? -37.78 141.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' ARG . . . -159.48 76.82 0.19 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.551 1.157 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 0.6 OUTLIER -63.31 79.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 0.0 109.595 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 28' ' ' GLY . 17.3 mtt180 -108.6 -47.28 3.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.39 -42.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.331 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -99.56 177.3 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -53.65 -173.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -59.64 -167.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.07 126.59 16.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.553 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 24.5 t -70.46 137.32 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.82 151.22 31.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.415 ' O ' ' CA ' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -88.1 135.1 33.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -130.1 120.87 25.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.564 HD12 ' CD1' ' A' ' 51' ' ' TYR . 89.9 mt -113.23 130.7 66.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.3 tp -108.32 135.16 50.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.478 ' CA ' HD13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -140.52 125.26 18.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.346 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.67 142.29 31.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.505 ' N ' ' C ' ' A' ' 45' ' ' PRO . 4.4 m-20 57.49 76.65 0.46 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.505 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.0 169.94 73.21 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.009 -0.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.7 99.68 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -148.37 166.81 26.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' A' ' 63' ' ' ILE . 1.5 tm? -132.53 112.27 11.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.542 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 38.4 m80 -109.35 129.23 55.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.621 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 7.9 p90 -118.98 121.08 39.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CD1' HD12 ' A' ' 40' ' ' ILE . 11.1 m-85 -107.47 151.56 25.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -58.8 135.61 86.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -46.95 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.25 -33.4 5.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.97 143.71 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 178.93 -178.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -122.53 -63.65 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -87.26 156.47 54.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.555 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.97 139.43 24.35 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.461 1.769 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 4.4 mt -54.93 -32.0 60.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 176.61 -174.46 47.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.542 ' HB1' ' CE1' ' A' ' 49' ' ' HIS . . . -131.71 165.31 24.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.473 ' CD1' HD13 ' A' ' 48' ' ' LEU . 24.4 mt -133.45 116.2 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.612 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 1.9 t-80 -53.86 126.7 23.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.574 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 66' ' ' ARG . 85.5 mt -113.04 -30.23 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.612 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 3.0 mtt-85 -37.3 -47.45 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.78 56.97 0.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 p -108.89 177.65 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.6 t -136.52 152.93 30.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.458 ' CG1' HG12 ' A' ' 112' ' ' ILE . 24.3 t -117.71 139.36 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.49 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -158.74 172.4 18.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.446 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.08 152.51 34.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.438 HG12 ' CA ' ' A' ' 88' ' ' PHE . 20.6 m -70.71 -162.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -130.93 28.09 4.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.1 t -52.76 142.9 17.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -162.59 103.82 1.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.34 143.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -163.29 129.64 3.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -165.87 -121.81 0.58 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.95 -62.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -177.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -132.33 97.94 4.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -74.01 -67.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -138.45 122.93 18.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -77.47 -148.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -75.44 131.27 40.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -139.22 166.04 25.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 9.7 p90 -155.02 144.87 21.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.49 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 10.2 tt0 -99.79 137.48 38.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.451 ' CD1' HD13 ' A' ' 115' ' ' ILE . 87.5 mt -129.62 111.29 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.5 mt -89.58 146.47 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.462 HG22 ' CG2' ' A' ' 63' ' ' ILE . 43.0 p -112.96 174.86 5.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.429 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.72 -18.01 27.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 15.5 m-20 -91.91 -5.3 53.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.7 mt-10 81.17 3.65 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.51 HG12 ' CZ ' ' A' ' 98' ' ' TYR . 48.6 t -64.7 130.14 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.9 m-70 -102.19 136.83 41.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.636 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.51 ' CZ ' HG12 ' A' ' 96' ' ' VAL . 61.6 m-85 -132.96 116.86 16.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -100.29 107.46 19.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -110.93 151.18 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.472 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 3.8 tt0 -109.73 128.92 55.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.07 145.92 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.21 -65.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 48.1 p -92.84 162.26 29.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.341 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.91 21.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 -28.58 21.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -68.44 -49.7 57.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.02 -44.78 10.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -70.65 -52.15 23.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.391 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.0 mt-10 -48.81 -53.24 20.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.435 ' O ' ' N ' ' A' ' 114' ' ' ALA . 9.5 m95 -46.77 -60.98 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.458 HG12 ' CG1' ' A' ' 70' ' ' VAL . 0.6 OUTLIER -41.3 -64.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -54.16 -33.38 57.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.468 ' HA ' ' CE ' ' A' ' 117' ' ' MET . . . -62.32 -57.75 10.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.452 HG23 ' CG2' ' A' ' 70' ' ' VAL . 3.6 mt -57.64 -42.64 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.437 ' HG2' ' CG2' ' A' ' 70' ' ' VAL . 4.3 mt-30 -58.14 -51.74 68.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -48.7 -43.98 37.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.434 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -73.13 -61.98 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.2 p -47.16 -32.2 4.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -59.91 -33.55 72.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.342 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 19.2 p 45.78 -167.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 110.376 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -124.41 10.31 8.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.54 -170.48 3.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.7 p 177.81 84.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.1 168.6 25.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -44.3 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.479 1.779 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.79 169.18 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.05 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 66.87 106.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.968 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m 60.27 157.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.968 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.3 m -146.8 -55.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.973 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.77 159.86 14.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.11 129.33 35.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 0.783 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 m -140.29 -51.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.02 -143.32 16.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 9' ' ' ILE . 2.6 t 58.56 161.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.453 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 1.9 mp -50.03 146.51 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -114.09 121.51 44.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.551 ' HD3' ' CE2' ' A' ' 14' ' ' PHE . 9.9 mttp -59.48 -164.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.453 ' HA ' ' HG2' ' A' ' 15' ' ' ARG . 1.6 mt-10 -110.48 -17.98 13.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.451 ' HG3' ' CE1' ' A' ' 14' ' ' PHE . 2.0 pm0 -92.92 -31.18 15.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.551 ' CE2' ' HD3' ' A' ' 11' ' ' LYS . 13.6 m-85 -97.73 35.55 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.469 ' HB3' ' CD1' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -127.73 8.37 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.271 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.14 -164.1 40.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p -124.13 167.25 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.486 ' CG2' ' HG3' ' A' ' 21' ' ' GLN . 26.8 mm -99.63 141.0 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.499 HD11 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -113.79 -32.85 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HD3' ' CE2' ' A' ' 111' ' ' TRP . 8.2 tttp -162.71 141.37 8.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.486 ' HG3' ' CG2' ' A' ' 18' ' ' ILE . 60.5 mt-30 -133.24 163.04 30.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.53 -178.66 31.19 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.563 1.165 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 90.3 m -105.34 148.9 26.56 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.4 mt -141.76 164.34 30.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -104.33 99.75 9.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -89.75 110.57 21.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.77 169.27 14.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.28 -109.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -131.98 -60.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.572 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.71 -46.82 4.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 110.352 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.9 124.05 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -153.52 -168.87 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -101.22 121.47 41.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -49.9 116.39 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.017 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -113.75 142.78 45.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.506 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 24.1 t -83.73 140.04 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -156.86 149.27 23.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' O ' ' CA ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -79.49 137.86 37.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -133.19 118.32 18.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.47 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 68.2 mt -114.19 131.57 65.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' CD1' ' CD1' ' A' ' 65' ' ' LEU . 23.5 tp -107.74 136.14 47.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.499 ' CA ' HD11 ' A' ' 19' ' ' ILE . 1.5 ptm180 -139.46 124.7 18.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -100.0 142.78 31.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.338 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.523 ' N ' ' C ' ' A' ' 45' ' ' PRO . 7.0 t0 57.77 75.93 0.51 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.523 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.01 169.66 73.97 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.007 0.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.81 96.45 9.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.41 ' CE1' ' HD2' ' A' ' 64' ' ' HIS . 6.3 m-85 -144.81 162.09 37.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.474 HD12 ' CD1' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -130.75 110.69 11.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.492 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 36.3 m80 -105.56 136.37 45.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.601 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.52 ' CD1' ' HB2' ' A' ' 60' ' ' LEU . 28.2 p90 -127.97 120.02 26.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 51' ' ' TYR . 6.0 m-85 -110.5 156.89 20.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 9.7 t70 -59.06 139.06 87.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.41 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -49.4 -34.95 17.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 152.49 148.03 4.75 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 179.9 -173.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.774 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 82.6 mm-40 -136.03 -62.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -83.65 158.35 62.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.02 132.8 15.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.52 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 5.5 mt -57.22 -29.02 63.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -178.49 -174.86 45.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.492 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -138.07 151.52 47.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 0.733 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.474 ' CD1' HD12 ' A' ' 48' ' ' LEU . 10.4 mt -128.32 116.46 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 66' ' ' ARG . 2.8 t-160 -60.91 128.04 34.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.569 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.474 ' CD1' ' CD1' ' A' ' 41' ' ' LEU . 86.8 mt -111.96 -15.7 13.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.548 ' HB3' ' CE1' ' A' ' 64' ' ' HIS . 0.3 OUTLIER -44.73 -62.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.86 48.72 0.91 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 15.4 p -95.56 176.72 6.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.2 t -138.48 145.85 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.464 ' CG1' HG12 ' A' ' 112' ' ' ILE . 36.0 t -111.04 139.91 32.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.497 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -158.56 174.17 15.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.22 158.52 21.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.4 m -92.83 -161.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -134.96 75.65 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.5 m -103.1 136.68 42.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -126.8 118.63 25.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 t -177.82 160.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 t30 177.12 142.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.99 -170.52 25.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.091 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.59 -66.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 130.89 45.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.32 82.77 1.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.42 -53.99 20.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -138.41 121.96 17.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -74.12 -147.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -86.58 113.78 22.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.88 166.71 15.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 13.3 p90 -154.62 150.94 28.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.497 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 11.6 tt0 -99.96 139.81 35.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.412 ' N ' ' HG2' ' A' ' 89' ' ' GLU . 98.8 mt -132.32 105.82 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.5 mt -83.95 146.4 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 73.4 p -111.26 175.05 5.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.35 -20.51 55.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 13.4 t70 -91.91 -1.5 57.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.6 mt-10 80.58 1.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.474 HG13 ' CZ ' ' A' ' 98' ' ' TYR . 47.7 t -61.54 132.13 26.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 8.1 m-70 -105.62 146.07 30.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.558 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.474 ' CZ ' HG13 ' A' ' 96' ' ' VAL . 58.0 m-85 -140.91 133.71 28.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -109.15 109.41 20.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.6 OUTLIER -113.01 132.38 55.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -97.33 123.82 41.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.78 132.22 39.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.66 -61.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.4 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 4.7 p -106.83 167.88 8.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.457 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.99 -14.23 21.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -77.85 -48.62 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.424 ' HG3' ' CD1' ' A' ' 111' ' ' TRP . 1.7 tp10 -58.17 -49.52 76.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -47.55 -42.68 24.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -73.8 -38.73 64.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.375 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 114' ' ' ALA . 10.4 mt-10 -63.76 -52.0 62.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.471 ' CE2' ' HD3' ' A' ' 20' ' ' LYS . 11.6 m95 -48.88 -60.74 2.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 107.96 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.464 HG12 ' CG1' ' A' ' 70' ' ' VAL . 1.2 mt -40.02 -61.78 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -36.3 71.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 111' ' ' TRP . . . -57.95 -54.72 43.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.463 HG22 ' CG2' ' A' ' 70' ' ' VAL . 1.9 mp -60.14 -43.08 92.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -57.9 -48.88 78.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -51.49 -45.23 62.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -72.27 -64.85 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.0 p -45.43 -34.26 3.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.033 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 121' ' ' THR . 17.8 mmt180 -61.58 -44.7 96.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 120' ' ' ARG . 1.9 t -38.91 146.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.401 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -81.45 -75.04 1.13 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.33 98.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.743 . . . . 0.0 109.266 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.47 -56.0 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -149.64 -145.34 4.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.102 . . . . 0.0 111.039 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 131.02 13.81 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.3 t -84.7 144.31 28.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.23 156.35 25.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.039 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.454 1.096 . . . . 0.0 111.024 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.27 83.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -108.12 125.69 51.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.15 100.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -130.48 110.9 11.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -86.23 151.06 23.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.57 -106.84 0.23 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.103 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.2 t -133.75 151.89 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -40.53 156.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 11' ' ' LYS . 1.5 tm? -122.69 110.27 15.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.503 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 20.3 mttt -56.73 -169.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -110.22 -38.56 5.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -69.6 -13.28 62.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 42' ' ' ARG . 20.6 m-30 -110.64 13.9 22.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -72.23 75.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.7 -154.94 25.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p -129.21 158.46 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.441 HD12 ' NE2' ' A' ' 21' ' ' GLN . 4.8 mt -83.9 160.04 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.438 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -119.2 -40.11 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.508 ' HD3' ' CZ2' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -156.46 131.98 9.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.441 ' NE2' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -152.33 158.9 43.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.73 -115.96 0.55 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 p -148.17 136.1 21.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 111' ' ' TRP . 18.0 mt -136.58 162.34 33.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -104.31 99.53 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -85.7 128.22 34.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -90.74 -177.81 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 148.83 -156.2 26.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.132 . . . . 0.0 111.044 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.71 57.26 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.624 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.415 ' NH2' ' HD2' ' A' ' 35' ' ' LYS . 4.2 mmm180 -109.23 -20.72 12.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 65.63 -178.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp 48.53 -172.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -50.45 177.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -75.72 171.16 14.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HD2' ' NH2' ' A' ' 30' ' ' ARG . 10.6 mmtt -123.57 117.46 25.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.501 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 42.6 t -61.21 145.77 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.35 144.72 22.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -86.29 102.36 13.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -96.29 118.27 32.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.578 HD13 ' CD1' ' A' ' 51' ' ' TYR . 21.6 mt -111.04 128.25 67.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.404 ' O ' HG22 ' A' ' 18' ' ' ILE . 16.2 tp -108.32 137.19 46.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.409 ' CZ ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -142.87 130.26 21.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 110.261 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -100.32 141.01 33.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.511 ' N ' ' C ' ' A' ' 45' ' ' PRO . 4.8 m-20 58.42 76.76 0.44 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.511 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.05 170.16 72.61 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.984 0.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HB1' ' CG2' ' A' ' 121' ' ' THR . . . -98.84 96.08 7.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -144.66 163.38 34.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.467 ' CD1' HD12 ' A' ' 63' ' ' ILE . 1.3 tm? -129.54 111.67 12.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.423 ' NE2' ' HB2' ' A' ' 62' ' ' ALA . 68.9 m80 -102.47 139.25 38.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.562 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 21.6 p90 -127.31 120.07 27.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.578 ' CD1' HD13 ' A' ' 40' ' ' ILE . 17.5 m-85 -107.65 175.71 5.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 3.1 t70 -91.31 145.43 31.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -50.88 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.466 1.771 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -43.36 -42.92 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 148.19 144.46 3.98 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 111.029 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -167.76 169.2 11.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.83 -60.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.38 166.17 12.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.529 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 134.0 17.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.417 1.746 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.578 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 3.5 mt -45.34 -29.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.51 -156.79 24.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.423 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . . . -148.52 159.23 44.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 0.752 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.467 HD12 ' CD1' ' A' ' 48' ' ' LEU . 42.7 mt -123.86 123.09 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.622 ' CE1' ' CB ' ' A' ' 66' ' ' ARG . 3.9 t-80 -63.17 123.35 18.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.558 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' ARG . 80.9 mt -109.99 -14.85 14.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.622 ' CB ' ' CE1' ' A' ' 64' ' ' HIS . 9.7 ttt180 -37.54 -66.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -119.46 49.54 0.87 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.8 p -90.46 166.95 12.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.5 t -123.35 152.3 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.473 ' CG1' HG12 ' A' ' 112' ' ' ILE . 32.0 t -119.24 138.08 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -157.9 157.91 34.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.86 146.31 28.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.001 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.2 m -81.01 -156.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -117.21 -61.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.3 t 54.21 -174.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.977 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 53.54 -171.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 m 54.02 93.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -167.02 -50.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.47 69.24 1.0 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.41 169.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 0.725 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.85 175.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.43 99.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -84.26 -59.23 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -140.97 124.72 16.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.18 -167.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -75.78 111.02 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.31 173.53 6.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 23.8 p90 -157.51 147.53 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -100.06 138.67 36.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.4 HD12 ' CD1' ' A' ' 115' ' ' ILE . 98.2 mt -131.16 104.37 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.0 mt -81.16 141.31 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.424 HG21 ' CG2' ' A' ' 63' ' ' ILE . 72.6 p -106.97 174.67 5.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.403 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.25 -17.96 23.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.43 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 11.9 t70 -93.97 -1.53 54.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.496 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 79.28 3.08 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.56 HG13 ' CE2' ' A' ' 98' ' ' TYR . 40.2 t -63.94 127.85 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.496 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.7 m-70 -100.37 133.3 44.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.576 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.56 ' CE2' HG13 ' A' ' 96' ' ' VAL . 39.1 m-85 -125.94 124.47 40.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 111.054 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -104.38 107.79 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.4 OUTLIER -110.9 145.07 38.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.25 126.93 52.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.26 148.71 21.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -58.75 5.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.3 p -102.37 162.27 20.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.398 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -5.75 17.18 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.445 1.76 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -93.38 -30.48 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.42 ' OE1' ' CE ' ' A' ' 20' ' ' LYS . 3.4 tp10 -67.18 -56.12 11.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 107' ' ' GLU . 0.4 OUTLIER -38.5 -43.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -72.13 -49.04 39.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.361 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 114' ' ' ALA . 6.7 mt-10 -53.05 -57.3 10.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.508 ' CZ2' ' HD3' ' A' ' 20' ' ' LYS . 1.5 m95 -42.65 -59.55 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 108.009 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -40.88 -64.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -55.34 -33.19 63.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 111' ' ' TRP . . . -61.53 -54.25 45.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.4 ' CD1' HD12 ' A' ' 90' ' ' ILE . 3.7 mt -61.98 -47.07 94.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.431 ' HG2' ' CG2' ' A' ' 70' ' ' VAL . 3.2 mt-30 -53.91 -49.32 68.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.438 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.6 OUTLIER -50.6 -49.14 57.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.438 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -68.25 -57.38 6.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 82.2 p -49.38 -34.04 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -62.94 -29.41 70.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.462 ' CG2' ' HB1' ' A' ' 46' ' ' ALA . 69.5 p 40.76 -161.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.21 -30.95 39.85 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? 78.72 -72.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.757 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.55 -70.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 178.92 -168.41 39.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 146.63 32.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.73 160.38 15.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 77.3 p -101.23 -16.98 16.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.05 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.5 m 60.47 154.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 m 64.98 127.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.88 -120.21 1.79 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.61 122.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 0.743 . . . . 0.0 110.025 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 m -104.91 163.8 12.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.73 -55.15 0.34 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -140.26 172.65 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.1 mm -50.22 155.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.454 HD13 ' CD ' ' A' ' 15' ' ' ARG . 1.1 tm? -107.9 126.25 52.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.568 ' HE3' ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -70.24 112.81 6.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.08 -38.35 17.31 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -31.22 69.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.346 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CZ ' ' HE3' ' A' ' 11' ' ' LYS . 5.3 m-30 -79.35 -17.3 54.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.454 ' CD ' HD13 ' A' ' 10' ' ' LEU . 16.5 mmm180 -50.38 -44.53 54.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 15' ' ' ARG . . . -58.27 -153.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -135.9 169.8 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.74 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 22.4 mt -95.49 168.33 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.472 HD13 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -140.88 -44.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HG2' ' CZ2' ' A' ' 111' ' ' TRP . 36.0 tttt -137.74 149.45 46.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.431 ' NE2' HG23 ' A' ' 18' ' ' ILE . 40.5 mt-30 -153.07 160.09 42.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.248 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.68 -162.63 30.07 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.7 m -114.17 144.04 43.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.508 ' HB2' ' CD2' ' A' ' 39' ' ' PHE . 56.8 mt -139.27 167.31 22.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.605 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -107.41 99.2 8.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -88.5 128.39 35.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.38 134.49 33.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.32 -64.86 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.45 -176.82 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.787 . . . . 0.0 109.555 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.59 -43.61 4.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 154.39 27.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.01 173.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -81.96 -173.19 4.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -67.86 171.99 5.96 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -123.43 157.65 32.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.474 HG22 ' CD1' ' A' ' 25' ' ' LEU . 3.4 t -104.0 130.1 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -145.5 152.31 39.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -83.88 139.9 32.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.508 ' CD2' ' HB2' ' A' ' 24' ' ' LEU . 11.8 m-85 -132.08 127.32 35.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.413 HD12 ' CE1' ' A' ' 51' ' ' TYR . 62.0 mt -121.36 129.52 75.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 tp -108.18 135.0 50.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' CA ' HD13 ' A' ' 19' ' ' ILE . 31.5 mtt85 -134.56 128.8 33.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.477 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -104.24 138.79 40.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.517 ' N ' ' C ' ' A' ' 45' ' ' PRO . 2.0 t70 55.2 76.28 0.52 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.517 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.0 170.45 71.83 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.005 -0.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.87 96.33 7.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.698 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 11.4 m-85 -144.47 153.3 41.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -124.57 111.52 15.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.413 ' CD2' ' CB ' ' A' ' 62' ' ' ALA . 76.2 m80 -105.57 143.93 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.595 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.489 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 6.2 p90 -129.67 133.46 47.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.457 ' N ' ' CD1' ' A' ' 51' ' ' TYR . 11.4 m-85 -119.64 161.17 21.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -71.92 137.84 82.38 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -48.07 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.51 -27.45 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.85 149.38 5.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -179.01 -171.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -130.61 -67.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.41 158.94 54.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.2 22.68 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.454 1.765 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 2.2 mt -60.0 -16.17 28.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 162.56 -157.17 29.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.538 1.149 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.413 ' CB ' ' CD2' ' A' ' 49' ' ' HIS . . . -161.55 149.52 15.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.431 ' CG2' HG22 ' A' ' 92' ' ' THR . 17.3 mt -113.09 116.87 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.698 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 3.5 t-160 -63.49 135.11 56.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.571 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.46 HD13 ' CA ' ' A' ' 47' ' ' TYR . 6.8 mt -122.25 8.65 9.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.465 ' HD3' ' CE1' ' A' ' 64' ' ' HIS . 23.1 ptt180 -46.53 -25.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 66' ' ' ARG . . . -169.17 37.16 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.4 p -72.26 169.19 16.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.8 t -121.13 147.28 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.465 ' CG1' HG12 ' A' ' 112' ' ' ILE . 25.6 t -117.61 139.17 45.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.02 167.27 30.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.429 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.54 149.75 28.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.7 m -76.55 174.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 74' ' ' GLU . 1.0 OUTLIER -110.62 36.37 3.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.5 t -39.18 148.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -86.12 -66.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.8 100.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 178.96 108.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 101.92 167.2 27.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -61.16 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -47.66 100.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 77.7 p -85.56 101.82 13.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.979 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -64.32 -66.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -138.43 123.84 19.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -66.74 -147.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -82.15 111.16 18.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.48 176.17 8.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 16.5 p90 -161.21 146.82 14.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -99.83 128.78 45.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.407 HD13 ' CE1' ' A' ' 88' ' ' PHE . 87.1 mt -121.37 104.41 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.5 mt -81.05 142.86 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.431 HG22 ' CG2' ' A' ' 63' ' ' ILE . 82.2 p -105.07 177.81 4.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.29 -15.85 58.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 12.3 t0 -96.57 -1.38 47.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.583 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.3 mt-10 83.11 -2.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.467 HG11 ' CZ ' ' A' ' 98' ' ' TYR . 46.7 t -59.97 131.37 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 7.4 m-70 -104.54 147.75 27.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.467 ' CZ ' HG11 ' A' ' 96' ' ' VAL . 56.9 m-85 -143.06 123.37 13.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -102.13 107.9 19.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.9 OUTLIER -110.33 132.41 54.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -97.08 135.8 38.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -103.67 154.48 19.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.18 -57.68 5.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.7 p -101.08 162.48 20.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.362 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -6.32 17.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.5 -36.02 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -46.96 87.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.34 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -50.13 -43.89 52.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.25 -51.25 32.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.0 mt-10 -50.97 -58.52 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.525 ' CZ2' ' HG2' ' A' ' 20' ' ' LYS . 11.8 m95 -41.71 -58.63 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 107.998 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.465 HG12 ' CG1' ' A' ' 70' ' ' VAL . 1.6 mt -43.41 -67.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -54.5 -23.75 17.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.463 ' HA ' ' CE ' ' A' ' 117' ' ' MET . . . -73.17 -58.65 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mt -55.35 -38.86 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.45 ' O ' ' CG ' ' A' ' 120' ' ' ARG . 4.4 mt-30 -61.21 -57.13 13.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -40.73 -42.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -76.05 -48.97 18.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 52.4 p -50.15 -38.83 41.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 116' ' ' GLN . 0.3 OUTLIER -59.33 -15.13 14.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 120' ' ' ARG . 51.0 p 38.3 -156.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.447 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -135.57 25.63 3.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -129.34 85.54 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.6 p -165.5 137.8 4.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 68.05 153.29 0.43 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -56.82 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.54 1.811 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.4 m -59.4 95.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.9 t -153.01 131.73 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.24 -59.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.76 . . . . 0.0 109.992 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t 63.19 161.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.54 -111.86 0.5 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 t 60.19 103.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -125.21 -63.87 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.25 -65.31 2.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.26 156.47 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mm -52.21 155.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.41 ' CD1' ' HG2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -83.89 123.49 29.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' O ' HD11 ' A' ' 10' ' ' LEU . 12.0 mtmt -73.76 155.85 38.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.445 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 5.0 mt-10 -78.89 -11.63 60.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -98.58 -6.47 29.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' ARG . 13.7 m-30 -107.56 -36.74 6.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.445 ' HG3' ' HA ' ' A' ' 12' ' ' GLU . 5.8 mtm-85 -36.63 -34.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 14' ' ' PHE . . . -60.25 -157.19 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -132.59 169.37 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 23.7 mt -99.48 165.69 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.493 HD13 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -132.1 -43.56 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -146.52 149.55 33.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -149.81 160.48 43.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.47 -171.9 34.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 92.6 m -106.66 147.15 29.89 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.4 mt -141.94 170.63 15.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.599 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -108.91 99.47 8.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 8.1 tttt -82.01 114.44 20.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.519 ' HG3' ' CD2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -115.59 156.61 25.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.18 77.26 1.26 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -178.1 -57.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 0.742 . . . . 0.0 109.561 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.33 -22.69 14.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 50.32 80.36 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.9 73.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 m120 65.1 130.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.519 ' CD2' ' HG3' ' A' ' 27' ' ' GLN . 50.2 m95 -44.15 147.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -125.52 123.49 39.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.555 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 36.9 t -67.73 142.43 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -156.75 150.57 24.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.311 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -85.64 138.99 31.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -131.83 118.7 20.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.464 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 81.6 mt -112.95 129.88 67.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.473 ' CD1' HD12 ' A' ' 65' ' ' LEU . 35.9 tp -107.73 137.58 45.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.493 ' CA ' HD13 ' A' ' 19' ' ' ILE . 36.9 mtp180 -140.39 126.11 19.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.436 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -104.22 140.86 37.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.53 ' N ' ' C ' ' A' ' 45' ' ' PRO . 2.1 t70 54.95 75.74 0.58 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.53 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.96 169.46 74.48 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.001 -0.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.1 97.8 9.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.425 ' N ' HD13 ' A' ' 65' ' ' LEU . 10.6 m-85 -147.77 147.86 30.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.491 ' C ' ' CD1' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -118.46 113.89 22.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -107.62 132.95 52.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.607 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -124.02 127.85 48.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.523 ' CE2' ' HB3' ' A' ' 59' ' ' PRO . 9.2 m-85 -114.93 169.59 8.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 10.6 t70 -75.73 141.87 72.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -46.59 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.782 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.407 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -47.64 -36.89 11.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.6 146.27 4.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -175.31 178.59 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.357 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -119.04 -59.56 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.72 158.95 34.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.523 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.03 133.53 16.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.561 1.821 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.74 -35.76 56.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -172.73 -170.01 35.98 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.483 1.114 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.74 164.68 29.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.357 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.481 ' CG2' HG22 ' A' ' 92' ' ' THR . 37.5 mt -130.74 106.11 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.409 ' NE2' ' HB2' ' A' ' 66' ' ' ARG . 5.0 t-160 -54.81 130.97 42.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.606 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.473 HD12 ' CD1' ' A' ' 41' ' ' LEU . 23.3 mt -113.83 8.5 17.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.409 ' HB2' ' NE2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -53.48 -61.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.247 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.29 30.72 3.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.8 p -64.31 177.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.6 t -140.45 142.83 30.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.435 ' CG1' HG12 ' A' ' 112' ' ' ILE . 37.9 t -113.06 137.71 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 72' ' ' SER . 0.6 OUTLIER -149.93 174.6 12.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.373 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.408 ' N ' HG23 ' A' ' 71' ' ' THR . 0.1 OUTLIER -119.52 134.4 55.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.8 m -65.66 178.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -111.58 32.68 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 m -67.17 158.64 30.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.22 160.63 18.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 m -145.55 158.65 43.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.6 t30 170.89 -55.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.71 51.69 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 177.47 -57.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -95.97 23.7 6.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 84' ' ' GLU . 0.4 OUTLIER -47.0 -63.13 1.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 68.3 -61.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 82' ' ' SER . 7.9 mt-10 -132.25 117.62 18.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.474 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 1.2 mt-10 -56.31 -166.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -71.63 110.05 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -125.7 178.02 5.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 14.8 p90 -159.71 149.27 18.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -101.87 127.62 48.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 88.8 mt -119.7 108.88 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.7 mt -85.38 141.07 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.481 HG22 ' CG2' ' A' ' 63' ' ' ILE . 32.3 p -102.74 -173.57 2.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.41 -16.71 62.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 1.3 m-20 -95.2 -1.5 51.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.8 mt-10 83.22 -1.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.49 HG13 ' CZ ' ' A' ' 98' ' ' TYR . 33.3 t -58.45 133.53 23.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 9.4 m-70 -107.98 141.13 40.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.64 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.49 ' CZ ' HG13 ' A' ' 96' ' ' VAL . 65.4 m-85 -136.51 133.66 36.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -111.56 107.56 16.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.498 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -110.34 134.06 52.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -96.2 131.06 43.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.83 145.06 25.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.62 -55.83 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.8 p -104.21 164.52 15.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -19.58 17.76 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.464 1.771 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -79.43 -41.4 27.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.0 -54.87 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -41.28 -43.96 2.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -72.45 -42.36 65.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.2 mt-10 -59.93 -59.5 5.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.463 ' O ' ' CB ' ' A' ' 114' ' ' ALA . 3.2 m95 -41.84 -58.45 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.435 HG12 ' CG1' ' A' ' 70' ' ' VAL . 2.3 mt -42.89 -67.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.67 -24.38 21.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 111' ' ' TRP . . . -69.24 -60.77 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.3 -36.25 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 120' ' ' ARG . 4.5 mt-30 -63.47 -52.03 63.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -46.86 -41.51 15.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.436 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -74.53 -62.13 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 98.6 p -48.07 -29.6 3.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 116' ' ' GLN . 17.1 mmt85 -59.24 -31.03 68.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.2 p 44.44 -167.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -130.64 30.29 3.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt 61.71 150.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 109.344 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.12 136.42 42.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -133.57 -145.46 5.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 69.7 5.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.561 1.821 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.9 m -147.91 109.63 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 15.3 m -126.89 88.87 2.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -130.79 -58.89 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.763 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.44 -57.76 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.57 -144.75 36.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -174.51 132.57 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 109.97 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.5 p -146.51 170.23 17.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.59 71.0 0.61 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.0 p -137.13 170.35 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -66.85 171.89 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' A' ' 11' ' ' LYS . 2.4 tm? -129.14 112.01 13.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.476 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 6.4 mttt -52.87 -174.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 15' ' ' ARG . 1.6 mm-40 -101.81 -33.31 9.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.567 ' HG2' ' CD2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -74.81 -22.66 58.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CD2' ' HG2' ' A' ' 13' ' ' GLU . 97.9 m-85 -106.14 25.75 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -113.8 -18.5 11.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.88 -153.78 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 p -125.28 167.84 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.77 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 34.9 mt -106.57 166.91 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.487 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -135.64 -43.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -140.84 151.5 44.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -150.32 155.86 40.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.97 -168.7 34.55 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.438 1.086 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.2 p -119.79 137.15 54.14 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 70.0 mt -126.63 176.26 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.578 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -109.52 99.28 8.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 7.0 tttm -83.25 125.59 31.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.4 ' NE2' ' CZ2' ' A' ' 34' ' ' TRP . 4.4 mt-30 -88.8 148.86 23.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.04 -143.32 14.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -112.39 -36.41 5.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.581 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -64.86 -34.85 79.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 54.34 98.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.79 -56.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -144.86 127.3 15.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.4 ' CZ2' ' NE2' ' A' ' 27' ' ' GLN . 55.1 m95 -57.24 143.31 39.87 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.25 132.37 54.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.567 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 38.7 t -75.06 145.58 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -157.96 150.23 22.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -82.31 143.17 31.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CD1' ' HB3' ' A' ' 50' ' ' TYR . 8.2 m-85 -141.04 118.86 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.475 HD12 ' CE1' ' A' ' 51' ' ' TYR . 74.7 mt -116.24 131.76 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.459 ' CD1' HD13 ' A' ' 65' ' ' LEU . 32.5 tp -107.96 137.9 45.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' NH1' ' ND1' ' A' ' 49' ' ' HIS . 16.3 mtt85 -138.73 124.25 19.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.239 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.458 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -102.89 136.27 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.521 ' N ' ' C ' ' A' ' 45' ' ' PRO . 13.4 t0 58.28 76.29 0.47 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.521 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.1 Cg_endo -75.03 170.48 71.73 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.978 0.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.444 ' CB ' ' HB2' ' A' ' 65' ' ' LEU . . . -98.11 95.96 7.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.418 ' N ' HD11 ' A' ' 65' ' ' LEU . 9.2 m-85 -145.69 144.16 30.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' O ' ' CD1' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -116.81 112.51 21.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.422 ' ND1' ' NH1' ' A' ' 42' ' ' ARG . 77.6 m80 -105.88 138.04 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.595 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.502 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 24.7 p90 -129.13 123.5 32.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.475 ' CE1' HD12 ' A' ' 40' ' ' ILE . 27.2 m-85 -107.03 169.07 8.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -75.28 142.67 75.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -47.49 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.5 -32.02 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.36 149.83 5.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 179.91 -169.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -129.96 -57.36 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.1 p-10 -90.24 155.51 46.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 151.12 38.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.502 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 1.5 mt -72.03 -9.59 58.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 155.68 -174.48 33.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.4 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . . . -139.4 146.86 40.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.472 ' CG2' HG23 ' A' ' 92' ' ' THR . 9.4 mt -112.64 110.63 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 6.8 t-160 -54.65 135.46 46.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.574 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.459 HD13 ' CD1' ' A' ' 41' ' ' LEU . 37.4 mt -117.06 13.66 14.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.565 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -55.43 -63.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.29 39.41 1.9 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.4 p -74.22 174.8 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.3 t -135.35 148.33 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.362 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.463 ' CG1' HG12 ' A' ' 112' ' ' ILE . 25.4 t -115.33 140.1 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.493 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.2 t -158.85 175.54 13.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.431 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.53 160.53 20.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.447 HG11 ' CA ' ' A' ' 88' ' ' PHE . 20.2 m -80.53 -161.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -120.86 -41.86 2.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 t 39.81 76.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.948 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.07 101.65 11.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.0 p -168.51 141.19 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -79.43 143.36 35.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.59 77.1 0.2 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.541 1.15 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -134.24 -64.91 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 110.276 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.34 163.43 12.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.86 136.21 33.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -150.41 -58.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -143.82 126.44 16.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -77.45 -146.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.508 ' ND2' ' CA ' ' A' ' 105' ' ' PRO . 68.4 m-20 -83.35 126.66 32.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.467 ' CD2' ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -134.01 178.68 6.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 15.6 p90 -165.32 145.39 6.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.595 ' OE2' ' CZ ' ' A' ' 99' ' ' PHE . 16.4 tt0 -99.83 136.72 39.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 87.9 mt -127.84 110.65 22.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.405 HG12 ' ND1' ' A' ' 97' ' ' HIS . 2.8 mt -88.48 143.23 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.472 HG23 ' CG2' ' A' ' 63' ' ' ILE . 32.7 p -107.13 -179.06 3.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 110.358 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -14.86 61.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -95.94 -2.18 47.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.561 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.3 mt-10 80.1 2.26 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.492 HG11 ' CZ ' ' A' ' 98' ' ' TYR . 42.1 t -64.76 132.11 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.561 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.6 m-70 -104.88 143.56 32.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.577 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.492 ' CZ ' HG11 ' A' ' 96' ' ' VAL . 58.3 m-85 -138.82 123.97 19.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.595 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 59.2 m-85 -100.43 107.65 19.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -112.78 131.58 55.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.467 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 4.9 tt0 -93.79 133.54 37.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.356 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -101.28 131.24 47.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.69 -66.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.4 p -101.67 166.75 11.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.44 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.508 ' CA ' ' ND2' ' A' ' 86' ' ' ASN . 18.4 Cg_endo -75.02 -8.85 20.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -43.46 14.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.28 -45.86 91.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.32 -42.57 31.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -73.99 -40.94 62.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 114' ' ' ALA . 12.0 mt-10 -60.99 -54.84 39.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.45 ' O ' ' N ' ' A' ' 114' ' ' ALA . 13.0 m95 -45.51 -61.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 108.001 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.463 HG12 ' CG1' ' A' ' 70' ' ' VAL . 2.2 mt -40.75 -65.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.39 -32.69 50.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.452 ' HA ' ' CE ' ' A' ' 117' ' ' MET . . . -64.55 -53.81 42.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.8 mt -60.51 -44.53 96.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -57.61 -48.07 80.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.452 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -52.13 -46.1 65.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.45 -64.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.5 p -43.81 -36.98 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -69.35 -46.86 66.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 122' ' ' GLY . 0.0 OUTLIER 39.53 91.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 121' ' ' THR . . . -37.61 -44.35 1.28 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.99 -76.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 0.715 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.4 m -68.87 134.88 50.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -174.47 177.16 46.72 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.59 36.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.05 137.83 51.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 13.7 t -158.07 90.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.95 -60.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 110.048 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.55 121.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.78 -142.19 0.81 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 p -107.8 137.15 46.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.99 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -145.94 134.19 21.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.47 128.37 4.47 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.545 1.153 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.81 170.51 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mm -42.44 153.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -109.94 94.62 5.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 18.5 mttt -61.62 -171.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -94.2 -43.56 8.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.564 ' HG3' ' CE1' ' A' ' 14' ' ' PHE . 1.9 pt-20 -60.96 -14.15 20.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CD1' ' NH1' ' A' ' 42' ' ' ARG . 17.6 m-30 -104.84 9.55 34.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -77.81 54.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.359 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.54 -177.33 36.32 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.4 p -110.33 168.29 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.459 ' CD1' HG23 ' A' ' 40' ' ' ILE . 16.9 mt -97.72 157.36 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.01 -40.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -152.81 137.69 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.425 ' NE2' HD13 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -159.44 158.2 31.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.85 -140.0 5.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 68.4 m -116.87 136.58 52.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.533 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 15.5 mt -138.97 152.6 47.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.536 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -97.39 99.79 11.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -83.77 113.89 21.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.477 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -103.43 113.7 27.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.48 173.87 29.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -45.73 -56.46 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 0.0 109.58 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.34 -32.91 57.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.348 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.28 96.75 8.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -45.49 72.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.3 164.04 27.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.477 ' CE2' ' HG3' ' A' ' 27' ' ' GLN . 94.2 m95 -48.49 126.69 11.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.046 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.35 120.88 27.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.462 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 34.9 t -57.2 136.02 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.72 151.64 31.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -86.72 131.0 34.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.533 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 11.6 m-85 -128.53 118.92 23.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.556 HD13 ' CE1' ' A' ' 51' ' ' TYR . 20.5 mt -112.75 128.91 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.532 ' CD1' ' CD1' ' A' ' 65' ' ' LEU . 17.7 tp -108.47 138.7 44.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.57 ' NH1' ' CD1' ' A' ' 14' ' ' PHE . 6.9 ptp180 -142.11 126.68 17.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.478 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -100.23 140.45 34.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.502 ' N ' ' C ' ' A' ' 45' ' ' PRO . 14.9 t0 58.39 76.86 0.43 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.502 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.04 165.54 85.65 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.12 99.59 12.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -149.19 162.92 39.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -130.75 110.47 11.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.511 ' HD1' ' NE ' ' A' ' 42' ' ' ARG . 64.6 m80 -102.48 125.89 49.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.474 ' HB3' ' CD2' ' A' ' 39' ' ' PHE . 25.3 p90 -120.58 128.12 52.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.556 ' CE1' HD13 ' A' ' 40' ' ' ILE . 7.1 m-85 -115.04 169.67 8.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -80.43 143.33 55.41 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -41.85 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.67 -34.32 51.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 145.01 152.03 5.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 177.56 165.22 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -110.65 -57.3 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -90.92 156.26 44.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.554 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.02 128.56 11.56 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.467 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 3.7 mt -42.21 -30.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.14 -166.85 40.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -134.88 150.22 50.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.474 ' CG2' HG23 ' A' ' 92' ' ' THR . 89.2 mt -118.53 108.3 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.584 ' CE1' ' HB3' ' A' ' 66' ' ' ARG . 2.9 t-80 -51.94 124.81 13.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.62 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.532 ' CD1' ' CD1' ' A' ' 41' ' ' LEU . 99.2 mt -110.71 -23.36 11.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.584 ' HB3' ' CE1' ' A' ' 64' ' ' HIS . 1.0 OUTLIER -39.23 -61.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -117.5 52.78 0.67 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.1 p -98.46 174.65 6.35 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -137.7 141.8 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.467 ' CG1' HG12 ' A' ' 112' ' ' ILE . 39.7 t -108.63 137.18 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -158.48 164.01 36.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.92 137.41 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.017 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.436 HG11 ' CA ' ' A' ' 88' ' ' PHE . 24.9 m -65.66 -167.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -102.81 -60.0 1.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.9 p 44.54 73.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.034 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -156.17 160.15 39.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.97 -53.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -143.01 125.38 15.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.39 62.45 0.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.06 -61.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -58.79 166.91 1.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 84' ' ' GLU . 4.6 t -113.89 -58.87 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 65.99 -72.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.449 ' CB ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -136.96 139.66 41.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.247 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -67.8 -142.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -82.36 110.1 17.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.459 ' CD2' ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -119.72 163.42 17.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 25.1 p90 -149.54 147.77 28.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.517 ' OE2' ' CZ ' ' A' ' 99' ' ' PHE . 20.5 tt0 -103.15 134.12 47.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 74.8 mt -126.23 112.32 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.4 mt -89.73 144.4 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.474 HG23 ' CG2' ' A' ' 63' ' ' ILE . 29.8 p -105.98 -178.19 3.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.39 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.57 -9.75 51.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.45 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -101.74 -1.65 31.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.607 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.9 mt-10 81.55 1.91 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.5 HG13 ' CZ ' ' A' ' 98' ' ' TYR . 37.3 t -62.34 132.06 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 10.8 m-70 -104.91 145.88 29.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.623 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.5 ' CZ ' HG13 ' A' ' 96' ' ' VAL . 30.9 m-85 -141.07 129.54 22.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.517 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 78.2 m-85 -106.98 106.52 17.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.7 OUTLIER -113.28 130.21 56.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.459 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 3.1 tt0 -94.04 131.53 39.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -100.06 123.84 44.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.9 -63.83 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.0 p -95.25 164.1 20.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -15.06 20.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -84.84 -37.51 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.1 -41.37 92.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.248 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -56.64 -42.99 79.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -72.78 -41.01 65.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.5 mt-10 -60.84 -55.07 37.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.446 ' O ' ' N ' ' A' ' 114' ' ' ALA . 10.3 m95 -47.23 -59.78 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.467 HG12 ' CG1' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -41.9 -63.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.08 -31.71 63.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 110' ' ' GLU . . . -62.87 -52.22 63.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.5 mp -62.39 -46.41 96.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.423 ' HG2' ' CG2' ' A' ' 70' ' ' VAL . 4.2 mt-30 -54.89 -49.72 70.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.444 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.4 OUTLIER -49.38 -48.55 46.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -70.6 -63.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 83.5 p -45.19 -32.48 1.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -61.58 -44.43 97.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.8 t -38.96 151.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -63.97 -68.34 1.7 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.35 81.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.3 p -107.32 135.51 48.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -84.79 158.78 33.87 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.451 1.094 . . . . 0.0 111.054 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.99 6.53 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.8 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.85 -58.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.31 107.98 20.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.65 -58.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.979 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 4' ' ' GLY . 37.7 m -144.79 -58.07 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -37.7 119.36 0.71 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -146.18 169.34 18.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.793 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 m -61.88 159.19 14.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.85 -152.47 13.11 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.8 t -111.01 156.44 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.0 mm -51.45 150.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 15' ' ' ARG . 3.1 tm? -132.62 117.72 18.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.377 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -50.08 177.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.18 -17.88 15.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.556 ' HG2' ' CD2' ' A' ' 14' ' ' PHE . 3.6 pm0 -89.13 -10.07 48.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.556 ' CD2' ' HG2' ' A' ' 13' ' ' GLU . 67.6 m-85 -126.1 44.27 2.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 111.043 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.485 ' HB3' ' CD1' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -124.28 2.08 8.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.48 -148.49 22.0 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.5 p -143.27 171.9 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.445 ' CD1' ' CG2' ' A' ' 40' ' ' ILE . 23.0 mm -97.59 155.47 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.514 HD11 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -124.71 -42.34 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.419 ' NZ ' ' OE1' ' A' ' 107' ' ' GLU . 10.6 tttt -151.13 142.59 23.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' NE2' HG22 ' A' ' 18' ' ' ILE . 35.5 mt-30 -142.35 141.43 32.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.086 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.42 -173.33 44.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.9 p -107.92 129.97 55.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 mt -123.12 157.04 33.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -100.23 100.91 11.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -88.15 116.48 26.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.56 176.0 3.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.06 70.08 1.16 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.82 -173.64 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.587 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.424 ' CD ' ' HB2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -87.46 -26.12 23.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.424 ' HB2' ' CD ' ' A' ' 30' ' ' ARG . 0.1 OUTLIER 175.23 -164.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 56.6 170.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -53.45 -174.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.447 ' CE2' ' HG2' ' A' ' 84' ' ' GLU . 11.5 m0 -65.71 168.48 7.67 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.31 121.49 42.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.496 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 33.5 t -63.07 138.52 22.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -148.41 138.69 22.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.65 124.04 28.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.536 ' CD2' HD13 ' A' ' 48' ' ' LEU . 6.9 m-85 -117.0 116.5 27.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.508 HD11 ' CD1' ' A' ' 51' ' ' TYR . 84.0 mt -108.53 127.75 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 65' ' ' LEU . 19.1 tp -107.96 139.61 42.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.514 ' CA ' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -139.25 130.51 26.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' HG2' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -103.25 138.9 39.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.264 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.474 ' N ' ' C ' ' A' ' 45' ' ' PRO . 6.1 t70 54.96 77.99 0.41 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.474 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.99 172.07 64.9 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.057 -0.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.55 95.6 6.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.511 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 8.0 m-85 -142.24 168.39 19.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.536 HD13 ' CD2' ' A' ' 39' ' ' PHE . 1.3 tm? -133.02 110.26 10.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.525 ' CD2' ' HB3' ' A' ' 62' ' ' ALA . 34.7 m80 -106.6 116.03 31.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.602 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 31.3 p90 -106.16 119.97 40.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.508 ' CD1' HD11 ' A' ' 40' ' ' ILE . 13.1 m-85 -109.55 153.84 23.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.83 130.27 93.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -5.1 16.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 111.056 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.52 -4.09 42.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.46 -124.19 2.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.475 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . 76.83 -58.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.789 . . . . 0.0 109.355 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 9.4 tt0 84.39 -55.84 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -75.66 152.76 85.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.474 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.03 115.1 4.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.547 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 2.9 mt -45.21 -34.18 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -172.15 -155.07 10.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.525 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . . . -157.19 156.9 33.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.469 ' CG2' HG23 ' A' ' 92' ' ' THR . 23.1 mt -128.43 108.23 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.511 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 5.0 t-160 -53.02 133.76 38.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 41' ' ' LEU . 27.5 mt -118.95 9.46 11.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -65.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -120.8 33.53 4.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.8 p -69.1 175.13 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.0 t -139.71 146.63 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.468 ' CG1' HG12 ' A' ' 112' ' ' ILE . 33.9 t -113.19 138.74 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -157.45 159.78 37.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.33 162.78 12.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.407 ' CG2' ' HB2' ' A' ' 87' ' ' LEU . 33.3 m -106.99 -173.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -91.4 -52.29 4.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 p 40.27 80.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.48 132.2 9.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.6 t -121.83 -55.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -165.68 -57.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 153.98 -66.5 0.32 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -47.65 -56.67 6.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 110.293 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.65 154.82 20.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.35 95.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -77.54 -48.06 17.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' HG2' ' CE2' ' A' ' 34' ' ' TRP . 2.5 mp0 -138.11 126.08 22.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.25 169.79 16.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 53.04 56.0 8.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.499 ' CD2' ' HB2' ' A' ' 101' ' ' GLN . 17.0 mt -107.45 170.96 7.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 7.3 p90 -169.9 145.42 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.462 ' HG2' ' N ' ' A' ' 90' ' ' ILE . 2.6 tt0 -99.61 140.95 33.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.509 HD11 ' CE1' ' A' ' 88' ' ' PHE . 6.2 mt -129.31 104.02 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.2 mt -82.84 135.21 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.469 HG23 ' CG2' ' A' ' 63' ' ' ILE . 73.4 p -98.51 -169.62 1.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.05 -20.62 60.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.422 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 1.1 m-20 -92.56 1.24 57.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.59 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.9 mt-10 80.65 0.05 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.53 HG11 ' CZ ' ' A' ' 98' ' ' TYR . 40.9 t -60.14 132.28 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 1.9 m-70 -106.34 139.83 40.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.639 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.53 ' CZ ' HG11 ' A' ' 96' ' ' VAL . 34.9 m-85 -133.04 121.12 22.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -102.09 106.84 17.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -107.18 170.14 8.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.499 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -123.8 124.07 41.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.44 120.76 34.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.67 -57.64 3.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.2 p -101.33 162.81 19.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.407 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -14.68 21.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.79 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.77 -33.16 21.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.419 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 1.4 tp10 -61.42 -50.28 73.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -48.32 -45.23 34.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 m -71.19 -44.64 65.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.427 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 114' ' ' ALA . 7.9 mt-10 -58.56 -59.73 4.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' ALA . 2.8 m95 -43.89 -61.01 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 107.981 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.468 HG12 ' CG1' ' A' ' 70' ' ' VAL . 1.4 mt -40.29 -66.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.38 -32.68 57.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 111' ' ' TRP . . . -62.36 -55.01 32.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mt -60.41 -48.75 87.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.454 ' HG2' ' CG2' ' A' ' 70' ' ' VAL . 4.3 mt-30 -51.62 -49.27 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.436 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -52.03 -47.82 64.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.436 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -66.75 -56.84 8.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.6 p -54.42 -28.73 45.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' GLN . 38.4 mmt180 -86.47 13.24 8.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 120' ' ' ARG . 0.5 OUTLIER -37.24 -38.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.391 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 57.6 71.55 0.73 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.4 77.66 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.8 t -110.21 95.89 5.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.01 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -170.34 157.13 28.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 59.01 5.08 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.36 105.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.1 m 70.5 -62.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.48 98.51 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 110.032 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.82 168.17 18.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.054 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.81 -102.38 0.32 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.69 99.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 p -136.04 141.76 44.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.25 -76.4 0.05 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 p -137.79 171.99 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.781 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mm -52.42 148.4 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.91 144.73 51.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.521 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . 14.9 mtmt -82.23 -167.63 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -100.94 -51.02 3.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 110.261 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.581 ' HG2' ' CD1' ' A' ' 14' ' ' PHE . 5.5 pm0 -55.34 -18.42 6.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.581 ' CD1' ' HG2' ' A' ' 13' ' ' GLU . 69.9 m-85 -90.07 -30.1 17.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' PHE . 15.2 mmm180 -38.46 -33.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.77 -163.13 7.04 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -126.49 170.56 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.247 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.451 ' CD1' HG22 ' A' ' 40' ' ' ILE . 24.3 mt -99.44 160.52 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.433 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -124.9 -40.87 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HE3' ' CD1' ' A' ' 111' ' ' TRP . 9.2 tttm -156.44 130.84 8.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.421 ' NE2' HD13 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -148.6 159.83 43.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.44 -160.71 34.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.6 p -95.53 148.49 22.45 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.432 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 12.5 mt -151.41 155.25 38.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -98.24 99.28 10.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -90.26 116.75 28.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.35 157.66 19.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -119.55 -115.99 2.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -146.45 -60.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.76 . . . . 0.0 109.554 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -67.95 -42.37 81.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.55 130.13 45.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -71.96 -75.36 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.58 -171.73 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.404 ' CD1' ' N ' ' A' ' 34' ' ' TRP . 5.3 m0 -97.65 174.27 6.72 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -137.28 116.28 12.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.5 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 39.6 t -59.5 140.9 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -157.79 167.39 30.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.26 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -99.08 143.41 29.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 13.0 m-85 -136.65 114.12 10.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.451 HG22 ' CD1' ' A' ' 18' ' ' ILE . 28.0 mt -107.76 129.63 61.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.406 ' O ' HG22 ' A' ' 18' ' ' ILE . 20.8 tp -109.14 137.92 46.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.52 ' CZ ' ' ND1' ' A' ' 49' ' ' HIS . 12.4 ptp180 -141.79 125.42 16.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.489 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -100.32 143.52 30.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.526 ' N ' ' C ' ' A' ' 45' ' ' PRO . 5.4 t0 52.08 76.11 0.57 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.526 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.94 170.05 72.85 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.049 -0.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.38 98.82 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -145.54 157.24 44.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 63' ' ' ILE . 1.4 tm? -127.07 111.32 13.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.52 ' ND1' ' CZ ' ' A' ' 42' ' ' ARG . 76.3 m80 -107.24 136.41 47.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.584 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 53.1 p90 -126.13 121.68 33.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.55 ' CD2' ' HA ' ' A' ' 59' ' ' PRO . 2.6 m-85 -117.27 160.72 20.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 2.5 t70 -58.91 141.84 85.39 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.26 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.556 1.819 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.445 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -43.06 -37.35 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 150.27 141.38 3.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -168.26 -171.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -140.27 -63.65 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -78.7 152.47 77.78 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.55 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 131.57 14.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 5.2 mt -63.25 -27.85 69.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -168.45 -159.16 13.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.467 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -167.2 128.74 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.476 ' CG2' HG21 ' A' ' 92' ' ' THR . 5.6 mt -104.43 123.23 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.52 ' CG ' ' HG2' ' A' ' 66' ' ' ARG . 5.9 t-160 -72.61 132.99 44.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 mt -120.19 23.79 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.52 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 16.3 ptt180 -65.31 -24.3 67.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.45 31.7 0.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.7 p -67.76 167.16 13.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 t -120.22 150.4 22.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.469 ' CG1' HG12 ' A' ' 112' ' ' ILE . 25.3 t -117.03 138.48 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -157.61 168.23 27.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.45 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.1 147.78 34.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.438 HG11 ' CA ' ' A' ' 88' ' ' PHE . 28.7 m -68.77 -170.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -99.16 -23.3 15.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 t -51.86 120.92 5.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.046 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -165.07 116.93 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.5 p -166.63 129.16 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.05 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -89.08 94.76 10.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 110.92 -134.89 12.46 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 65.15 164.47 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 0.797 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -179.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 p -95.62 114.73 26.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -141.85 -62.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -134.66 119.9 18.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -83.54 -146.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -81.05 119.09 23.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.429 ' CD2' ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -127.25 162.93 25.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 37.1 p90 -152.42 143.26 22.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 90' ' ' ILE . 3.9 tt0 -99.91 138.75 36.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.425 ' N ' ' HG2' ' A' ' 89' ' ' GLU . 76.8 mt -129.63 105.3 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.7 mt -82.71 144.77 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.476 HG21 ' CG2' ' A' ' 63' ' ' ILE . 54.0 p -109.13 178.14 4.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.443 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.97 -14.71 50.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -95.08 -5.12 45.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 6.0 mt-10 83.35 -1.44 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 94' ' ' ASP . 42.7 t -61.08 132.62 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 7.5 m-70 -104.72 142.69 34.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.581 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.443 ' CZ ' HG12 ' A' ' 96' ' ' VAL . 48.2 m-85 -137.62 120.41 16.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -100.69 109.18 21.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.5 OUTLIER -113.9 133.53 55.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.429 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 3.5 tt0 -96.46 129.07 43.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . -98.91 125.24 44.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -39.73 -64.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.4 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 19.7 p -95.67 164.54 18.61 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.402 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -75.03 -11.74 21.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.552 1.817 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -88.32 -30.04 19.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.44 -39.34 85.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.05 -45.08 91.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -68.84 -50.6 48.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.7 mt-10 -51.33 -55.93 15.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.45 ' CD1' ' HE3' ' A' ' 20' ' ' LYS . 9.3 m95 -44.01 -61.0 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.469 HG12 ' CG1' ' A' ' 70' ' ' VAL . 1.0 OUTLIER -40.69 -67.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -52.25 -32.51 37.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 111' ' ' TRP . . . -62.06 -55.05 33.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.424 ' CD1' HD11 ' A' ' 90' ' ' ILE . 2.5 mt -61.24 -47.47 93.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 120' ' ' ARG . 4.3 mt-30 -54.01 -49.21 69.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.454 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -50.9 -47.65 60.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.489 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.02 -57.68 4.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 56.7 p -49.58 -30.47 8.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 123' ' ' LYS . 54.2 mmt-85 -63.86 -40.04 95.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' A' ' 118' ' ' ALA . 31.4 p 48.15 25.7 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.39 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.56 -31.94 7.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER 62.28 149.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.97 98.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 60.24 158.06 0.05 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.89 30.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.4 t -64.38 -38.18 90.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.52 -49.95 69.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 p -97.56 -57.55 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 0.712 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m 61.8 136.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.65 156.25 6.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 t -147.6 125.94 12.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 110.012 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.27 166.5 13.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.965 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.22 64.23 0.61 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 p -137.23 162.38 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mm -43.3 150.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.433 HD12 ' NE ' ' A' ' 15' ' ' ARG . 1.9 tm? -113.26 116.32 29.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 0.9 OUTLIER -55.14 -168.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.48 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 2.9 mm-40 -107.51 -46.87 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -63.96 -20.93 66.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.541 ' CD2' ' NH2' ' A' ' 42' ' ' ARG . 69.5 m-85 -93.2 -16.83 24.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.48 ' CG ' ' HA ' ' A' ' 12' ' ' GLU . 3.3 mmt180 -37.66 -50.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.93 -160.11 0.09 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.73 164.81 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 7.6 mt -87.84 165.21 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.508 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -136.03 -43.04 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -137.31 147.85 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -153.96 147.35 24.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.18 -167.69 39.47 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.6 p -112.44 140.24 47.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.2 mt -136.59 173.95 11.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.59 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -110.29 99.38 8.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.535 ' HE2' ' CD1' ' A' ' 98' ' ' TYR . 25.6 tttt -86.53 119.67 27.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.43 ' NE2' ' CD1' ' A' ' 34' ' ' TRP . 2.7 mm-40 -84.04 -49.92 8.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.08 -157.86 23.58 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -98.82 -55.24 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.594 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -44.2 67.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.64 110.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -127.0 -53.56 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -166.75 134.63 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.43 ' CD1' ' NE2' ' A' ' 27' ' ' GLN . 80.0 m95 -55.32 97.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.019 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -94.37 171.76 8.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.541 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 8.7 t -110.47 136.27 46.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -153.32 155.29 36.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -85.18 147.87 26.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -140.7 113.83 8.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.558 HD11 ' CE1' ' A' ' 51' ' ' TYR . 80.6 mt -108.02 135.04 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.8 tp -107.91 143.53 36.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.541 ' NH2' ' CD2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -147.8 121.2 9.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -99.88 146.58 26.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.499 ' N ' ' C ' ' A' ' 45' ' ' PRO . 19.7 t0 46.39 77.41 0.46 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.499 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.5 Cg_endo -74.97 166.96 81.86 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.003 0.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.78 104.32 16.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.49 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 8.1 m-85 -148.51 168.52 22.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.491 ' O ' ' CD1' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -140.7 110.72 6.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.554 ' CE1' ' HB2' ' A' ' 62' ' ' ALA . 57.4 m80 -106.72 148.73 28.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.575 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.404 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 15.5 p90 -135.6 131.43 35.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.558 ' CE1' HD11 ' A' ' 40' ' ' ILE . 18.2 m-85 -117.14 159.94 21.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 55' ' ' GLY . 7.4 t70 -65.44 138.37 96.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -43.17 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.38 -38.16 51.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.405 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . 149.66 138.05 2.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -171.45 176.93 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -122.02 -58.92 1.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.01 152.25 48.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.494 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 131.77 14.65 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.762 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.404 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 mt -52.54 -30.04 28.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 179.29 -154.46 13.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.554 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . . . -165.25 151.91 10.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 0.777 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.422 ' CG2' HG22 ' A' ' 92' ' ' THR . 20.5 mt -113.46 123.96 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.49 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 4.5 t-160 -68.97 133.96 48.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.609 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.401 HD11 ' CA ' ' A' ' 47' ' ' TYR . 6.6 mt -121.66 14.65 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.454 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 6.1 ptt180 -55.24 -29.32 57.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.41 ' N ' ' HG3' ' A' ' 66' ' ' ARG . . . -158.87 26.51 0.38 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.0 p -66.77 170.05 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 70' ' ' VAL . 28.0 t -124.72 155.89 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.453 ' CG1' HG12 ' A' ' 112' ' ' ILE . 23.8 t -120.39 139.54 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.504 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -158.61 175.01 14.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.41 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.66 157.68 20.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.433 HG11 ' CE2' ' A' ' 99' ' ' PHE . 30.1 m -82.58 -167.65 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -113.12 -58.67 2.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.36 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.8 p 53.33 173.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -157.94 151.67 23.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.9 p -176.14 144.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.957 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -108.11 -59.58 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 160.92 46.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.4 114.75 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 67.26 158.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.54 125.67 45.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -103.39 -63.68 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -140.82 122.38 15.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.344 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -163.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -73.98 112.23 9.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.66 178.38 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 10.0 p90 -161.52 155.09 21.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.504 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 8.4 tt0 -105.49 134.65 48.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 91.3 mt -127.05 105.25 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.2 mt -81.63 141.76 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.422 HG22 ' CG2' ' A' ' 63' ' ' ILE . 50.6 p -103.39 -170.33 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.36 -22.76 61.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.467 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -90.95 -1.0 57.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.54 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.8 mt-10 83.02 0.78 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.564 HG11 ' CE2' ' A' ' 98' ' ' TYR . 47.6 t -58.68 133.56 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 11.2 m-70 -107.02 136.89 46.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.617 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.564 ' CE2' HG11 ' A' ' 96' ' ' VAL . 41.9 m-85 -131.96 135.71 46.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.433 ' CE2' HG11 ' A' ' 73' ' ' VAL . 3.1 m-85 -111.84 107.05 15.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -111.38 128.49 55.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -93.71 138.22 32.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -104.5 163.82 12.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.76 -59.99 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 65.3 p -101.87 162.07 21.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.1 21.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.771 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -87.72 -28.83 21.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ARG . 2.0 tt0 -69.64 -55.95 8.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.482 ' HG2' ' CD1' ' A' ' 88' ' ' PHE . 2.8 tmm_? -38.61 -44.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -68.59 -48.08 65.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 114' ' ' ALA . 3.6 mt-10 -52.66 -54.16 37.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -46.0 -56.45 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 107.986 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.453 HG12 ' CG1' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -44.31 -62.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -57.43 -28.64 63.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.471 ' HA ' ' CE ' ' A' ' 117' ' ' MET . . . -68.06 -54.66 16.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.5 mt -59.43 -42.16 86.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -58.0 -52.52 65.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -45.03 -43.16 9.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -75.49 -60.83 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.6 p -47.0 -29.53 2.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.417 ' C ' ' OG1' ' A' ' 121' ' ' THR . 54.7 mmt-85 -58.56 -29.1 66.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.417 ' OG1' ' C ' ' A' ' 120' ' ' ARG . 3.2 p 44.39 -169.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -70.47 -36.81 69.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.74 82.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.78 97.25 10.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -120.21 -150.33 8.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 81.76 2.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.058 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.9 137.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.0 t -150.67 86.77 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.038 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 52.63 95.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.034 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.2 m 56.59 89.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.957 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.68 137.66 1.04 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 p -146.25 109.95 4.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.023 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m 62.48 119.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.81 -91.0 0.12 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -134.69 153.07 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -46.16 154.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 11' ' ' LYS . 1.5 tm? -119.02 107.5 13.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.489 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 11.3 mtpt -54.79 -170.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -108.92 -39.7 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' A' ' 49' ' ' HIS . 18.3 pt-20 -67.07 -11.39 57.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.406 ' C ' ' N ' ' A' ' 16' ' ' GLY . 47.4 m-85 -102.14 -22.26 14.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -39.57 -31.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 14' ' ' PHE . . . -76.74 -165.75 22.83 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.0 p -124.85 175.46 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 0.736 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.458 HG12 ' CG2' ' A' ' 40' ' ' ILE . 25.0 mt -100.57 158.23 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.441 HD11 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -122.74 -41.45 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HD3' ' CE2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -157.34 128.35 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.45 ' NE2' HG22 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -146.63 156.85 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.16 -149.06 10.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.3 m -108.08 143.69 36.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 13.3 mt -144.45 159.61 42.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.513 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -102.14 98.82 8.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -91.66 126.74 36.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -91.41 169.44 10.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -156.61 -54.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -177.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -80.68 -39.85 26.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.83 70.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -131.39 162.13 30.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -44.26 156.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -89.03 174.99 7.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 108.028 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -141.09 116.26 9.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.5 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 42.5 t -56.99 141.57 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -154.75 145.03 21.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -80.49 135.15 36.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 14.5 m-85 -130.62 120.53 24.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.529 HD12 ' CD1' ' A' ' 51' ' ' TYR . 44.4 mt -111.45 128.69 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' HG21 ' A' ' 18' ' ' ILE . 16.0 tp -109.73 133.53 53.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.509 ' CZ ' ' ND1' ' A' ' 49' ' ' HIS . 8.4 ptp180 -138.87 127.45 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.482 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -101.26 138.64 38.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.267 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.516 ' N ' ' C ' ' A' ' 45' ' ' PRO . 7.8 t0 57.79 76.46 0.47 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.516 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.03 166.74 82.47 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.973 0.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.09 96.18 8.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.437 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 6.3 m-85 -146.23 151.22 37.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.414 HD11 ' CD1' ' A' ' 63' ' ' ILE . 1.5 tm? -117.25 111.28 19.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 62' ' ' ALA . 63.6 m80 -107.58 125.08 50.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.581 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.594 ' CE1' ' HB2' ' A' ' 60' ' ' LEU . 34.9 p90 -119.81 128.06 53.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 59' ' ' PRO . 16.1 m-85 -109.77 156.74 19.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -69.03 141.88 92.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -50.31 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.76 -33.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.479 ' O ' ' CB ' ' A' ' 56' ' ' ALA . . . 143.1 158.84 7.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 55' ' ' GLY . . . 164.97 170.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -115.73 -61.45 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.2 154.76 66.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.99 144.32 30.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.594 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -55.8 -42.06 75.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -175.67 -153.88 10.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.575 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . . . -148.77 134.31 18.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.459 ' CG2' HG21 ' A' ' 92' ' ' THR . 10.1 mt -100.69 126.0 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.58 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 8.7 t60 -66.89 119.42 11.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.615 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.5 mt -112.61 -14.12 13.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.58 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -38.56 -68.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -118.13 43.77 1.55 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 19.6 p -81.79 -174.09 4.82 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -139.79 146.48 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.473 ' CG1' HG12 ' A' ' 112' ' ' ILE . 31.0 t -113.72 140.07 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.491 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -157.82 170.39 22.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.16 155.77 24.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 88' ' ' PHE . 22.7 m -80.79 179.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 75' ' ' SER . 9.3 pt-20 -106.69 -34.1 7.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 1.8 p 40.83 88.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -44.4 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 m -50.3 145.56 6.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.975 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -165.85 118.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 44.58 57.52 5.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.587 1.18 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -142.42 -62.97 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.04 177.76 9.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.71 119.58 25.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -146.29 -63.59 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -144.35 128.36 17.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -75.83 -146.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -84.27 118.33 24.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.47 ' CD2' ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -131.83 178.51 6.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.092 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 5.6 p90 -164.09 150.8 11.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.491 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 29.4 tt0 -101.68 142.83 32.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 62.1 mt -135.2 107.69 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 68' ' ' CYS . 2.3 mt -86.95 143.52 11.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.459 HG21 ' CG2' ' A' ' 63' ' ' ILE . 70.0 p -108.18 174.22 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.32 -18.32 36.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.432 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 16.5 t70 -93.05 -2.61 55.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.9 mt-10 80.54 4.15 1.74 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' A' ' 94' ' ' ASP . 42.0 t -64.43 131.55 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 9.4 m-70 -104.23 145.4 30.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -137.12 140.55 41.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -116.69 108.31 15.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -117.39 127.7 54.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.47 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 5.5 tt0 -93.38 125.29 37.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -89.34 140.44 29.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.82 -63.84 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.18 165.47 18.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.387 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -16.65 20.0 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.788 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -82.21 -40.96 20.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.5 -44.25 93.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.497 ' C ' ' CD ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -49.26 -47.42 46.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.409 ' N ' ' HD2' ' A' ' 108' ' ' ARG . 1.0 OUTLIER -75.29 -51.04 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.424 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 114' ' ' ALA . 3.3 mt-10 -49.11 -54.58 15.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.452 ' O ' ' N ' ' A' ' 114' ' ' ALA . 0.5 OUTLIER -43.73 -61.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' A' ' 70' ' ' VAL . 1.3 mt -41.65 -65.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.11 -30.9 39.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 110' ' ' GLU . . . -65.04 -51.49 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.2 mt -62.36 -48.32 88.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -53.17 -49.91 65.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.447 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.4 OUTLIER -47.9 -47.72 31.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.482 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.13 -59.93 2.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 64.6 p -44.79 -44.12 9.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.952 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -66.61 -46.14 76.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 38.01 87.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.419 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -69.54 93.92 0.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.01 128.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.77 125.62 29.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.123 . . . . 0.0 109.969 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.38 -167.51 0.33 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 157.63 42.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.769 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.9 t -149.15 165.15 32.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.963 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 97.0 p 42.21 92.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.044 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.76 105.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 0.778 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 p -164.21 169.97 16.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.8 -166.69 30.91 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.87 99.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 0.743 . . . . 0.0 110.039 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -176.32 147.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.966 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.88 -88.43 0.39 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.8 t -128.91 144.76 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 mt -40.24 155.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.476 HD22 ' CA ' ' A' ' 15' ' ' ARG . 0.5 OUTLIER -133.24 145.0 50.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -93.08 -173.0 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.445 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 1.3 mt-10 -93.26 -28.51 16.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.21 1.65 20.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -121.67 -38.23 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.476 ' CA ' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.06 -14.21 59.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.163 . . . . 0.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.94 -159.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.432 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 8.1 p -124.21 172.73 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.434 ' CG2' ' HG3' ' A' ' 21' ' ' GLN . 3.8 mt -113.39 171.09 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.472 HD11 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -143.9 -44.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.541 ' HD2' ' CE3' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -147.77 130.92 16.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.434 ' HG3' ' CG2' ' A' ' 18' ' ' ILE . 31.8 mt-30 -131.66 137.14 48.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.66 -149.65 7.78 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.2 p -130.71 149.0 52.56 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.497 HD13 ' CD1' ' A' ' 111' ' ' TRP . 33.6 mt -146.14 161.83 39.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.557 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -103.87 102.52 12.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.501 ' HE3' ' CE1' ' A' ' 98' ' ' TYR . 5.8 tttt -85.1 111.14 19.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.513 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 1.5 tt0 -64.9 162.79 15.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.94 -162.98 9.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.524 ' CD2' ' C ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -72.33 -46.17 56.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.588 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -62.52 -38.25 89.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 62.4 174.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER 67.84 139.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER 80.31 -53.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.579 ' CZ2' ' HG2' ' A' ' 84' ' ' GLU . 5.8 m0 67.72 -176.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.65 118.69 8.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.472 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 39.0 t -60.78 139.85 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.411 ' N ' HG12 ' A' ' 36' ' ' VAL . 11.0 mtt180 -151.58 140.53 21.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -81.3 97.0 7.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 10.3 m-85 -87.62 118.42 27.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.529 HD11 ' CD1' ' A' ' 51' ' ' TYR . 63.8 mt -111.77 129.17 67.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.4 tp -108.31 134.61 50.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' CA ' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -137.0 127.91 27.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -104.07 138.92 39.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.501 ' N ' ' C ' ' A' ' 45' ' ' PRO . 1.3 m-20 58.17 76.99 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.501 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.98 170.6 71.39 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.036 -0.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.51 101.4 13.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.463 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 8.7 m-85 -147.99 164.28 34.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -139.77 111.16 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.478 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 53.8 m80 -106.46 148.41 28.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.61 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 21.6 p90 -132.07 120.72 22.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.53 ' CE2' ' HB3' ' A' ' 59' ' ' PRO . 14.4 m-85 -107.95 168.2 9.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -79.87 137.24 54.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -35.52 3.12 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 111.019 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.02 -37.25 52.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.91 -99.41 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 61.82 -167.89 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -151.49 -57.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.75 154.04 73.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.99 131.49 14.35 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.551 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 2.0 mt -57.17 -29.64 63.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 176.12 -168.21 40.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.478 ' HB1' ' CE1' ' A' ' 49' ' ' HIS . . . -151.74 153.55 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.468 ' CD1' HD12 ' A' ' 48' ' ' LEU . 18.3 mt -115.23 118.96 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.499 ' CG ' ' HG2' ' A' ' 66' ' ' ARG . 5.1 t-160 -66.76 128.86 37.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.628 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 mt -117.04 15.38 15.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.499 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 3.7 ptt180 -53.23 -24.28 10.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -166.78 30.03 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.9 p -67.76 171.39 6.54 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.1 t -127.44 153.16 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.456 ' CG2' ' HG2' ' A' ' 116' ' ' GLN . 23.3 t -118.9 138.8 48.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.504 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -158.19 172.91 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.443 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.19 163.3 13.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.036 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.466 HG13 ' CD2' ' A' ' 99' ' ' PHE . 12.3 m -100.48 172.93 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -106.44 30.47 5.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.0 m -106.67 89.68 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -138.29 178.32 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.72 -59.1 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 0.0 109.994 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -46.58 110.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.12 -150.94 8.47 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 40.55 36.44 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 110.342 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.88 100.25 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.59 73.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.971 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -150.01 -54.49 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.579 ' HG2' ' CZ2' ' A' ' 34' ' ' TRP . 9.9 mt-10 -140.9 101.01 3.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -115.15 -19.24 10.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -154.61 -77.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.465 ' HA ' ' O ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER 62.33 -177.7 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 20.8 p90 -165.36 153.43 11.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.504 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 26.5 tt0 -99.73 145.08 28.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.408 ' CD1' HD12 ' A' ' 115' ' ' ILE . 75.3 mt -141.36 103.81 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -81.99 140.83 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.467 HG21 ' CG2' ' A' ' 63' ' ' ILE . 39.3 p -101.34 -173.08 2.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.11 -15.86 62.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 0.4 OUTLIER -96.79 0.26 49.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.547 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 7.0 mt-10 81.71 -1.13 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.421 HG11 ' CZ ' ' A' ' 98' ' ' TYR . 21.9 t -58.63 135.4 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 12.0 m-70 -108.08 141.9 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.501 ' CE1' ' HE3' ' A' ' 26' ' ' LYS . 57.9 m-85 -138.49 131.67 30.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.466 ' CD2' HG13 ' A' ' 73' ' ' VAL . 77.1 m-85 -110.92 106.2 15.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -103.22 137.77 40.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.507 ' OE1' ' CD2' ' A' ' 25' ' ' LEU . 2.1 tt0 -92.48 127.1 37.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.95 133.06 43.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.0 -39.89 63.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.405 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 11.3 p -131.07 166.38 28.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -75.01 -20.83 16.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -37.83 70.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -68.8 -43.84 74.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.464 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 5.1 ttp180 -48.27 -47.45 36.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.89 -44.27 66.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.0 mt-10 -57.41 -60.42 3.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.541 ' CE3' ' HD2' ' A' ' 20' ' ' LYS . 1.5 m95 -42.23 -59.34 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 107.994 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.464 ' CD1' ' O ' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -43.36 -66.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.1 -24.66 18.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 110' ' ' GLU . . . -72.75 -57.74 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.408 HD12 ' CD1' ' A' ' 90' ' ' ILE . 2.1 mp -57.84 -39.1 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.456 ' HG2' ' CG2' ' A' ' 70' ' ' VAL . 4.4 mt-30 -61.21 -51.45 68.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -47.78 -42.81 26.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -74.39 -58.19 3.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.1 p -50.23 -29.62 9.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 116' ' ' GLN . 14.4 mmt85 -60.05 -30.21 69.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.407 ' OG1' ' C ' ' A' ' 120' ' ' ARG . 8.3 p 44.5 -167.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -130.16 20.79 4.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.08 133.97 43.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 0.75 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.36 -83.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.956 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 173.69 163.51 27.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 68.56 5.72 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.534 1.808 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.25 -93.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.6 -53.36 39.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.991 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 p -114.49 143.73 44.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.006 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -168.96 145.96 3.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.47 -116.0 2.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.135 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.67 90.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 0.738 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.88 120.4 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.567 ' O ' ' CG1' ' A' ' 8' ' ' VAL . . . 138.08 -65.56 0.54 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.567 ' CG1' ' O ' ' A' ' 7' ' ' GLY . 9.7 p 52.11 170.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.773 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.516 ' CG2' ' N ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER 55.42 165.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.516 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -67.33 -151.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' H ' ' CD1' ' A' ' 10' ' ' LEU . 29.2 mttt -151.59 -121.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.443 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 3.2 mm-40 -135.42 -44.04 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.572 ' HG3' ' CD1' ' A' ' 14' ' ' PHE . 13.0 pt-20 -81.4 -26.14 35.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 20.1 m-30 -91.0 0.46 57.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.443 ' HG3' ' HA ' ' A' ' 12' ' ' GLU . 21.7 mmm180 -68.75 60.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 14' ' ' PHE . . . -158.57 -151.97 6.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p -129.06 170.02 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.466 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 39.4 mt -107.54 165.45 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.521 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -143.9 -45.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HG2' ' CD2' ' A' ' 111' ' ' TRP . 4.3 tptt -123.62 146.72 47.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -156.78 143.76 18.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.19 -171.92 36.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.7 p -103.63 144.73 31.06 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 20.9 mt -139.48 159.76 41.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -102.32 99.22 9.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -88.99 124.41 34.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.68 162.98 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.41 ' O ' ' CB ' ' A' ' 29' ' ' HIS . . . 92.93 98.06 1.44 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.41 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 0.8 OUTLIER 169.34 -62.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 109.602 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.27 -31.82 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 57.68 85.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.99 -40.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -153.69 167.05 30.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 29.4 m95 -88.07 135.98 33.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 107.984 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.21 142.37 41.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.409 HG21 ' CD1' ' A' ' 25' ' ' LEU . 17.7 t -83.73 140.58 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.1 154.41 30.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 50' ' ' TYR . 7.5 tttt -84.76 143.48 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.097 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 8.3 m-85 -139.97 113.25 8.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.44 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 76.0 mt -110.96 137.05 45.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.9 tp -108.95 142.16 40.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 45' ' ' PRO . 22.3 mtp180 -138.84 123.08 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' HG2' ' CD1' ' A' ' 19' ' ' ILE . 2.2 pt-20 -100.1 136.27 40.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.467 ' N ' ' C ' ' A' ' 45' ' ' PRO . 34.4 t0 55.4 78.42 0.38 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.467 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.01 172.18 64.33 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.989 -2.505 . . . . 0.0 110.993 0.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.6 95.77 7.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.409 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 5.8 m-85 -140.91 157.39 45.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.448 ' O ' ' CD1' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -131.88 110.64 10.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.4 ' NE2' ' OE2' ' A' ' 13' ' ' GLU . 81.0 m80 -103.75 154.4 19.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.593 ' CE1' ' C ' ' A' ' 61' ' ' GLY . 1.5 p90 -145.95 122.72 11.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 59' ' ' PRO . 4.4 m-85 -110.53 165.2 11.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 8.9 t0 -68.61 139.52 91.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -49.81 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.425 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -41.67 -44.79 3.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.8 135.58 2.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -165.7 -148.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.38 -46.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -97.4 149.75 36.05 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.528 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -75.0 129.21 12.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mt -48.97 -27.5 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.593 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . 173.19 -170.94 44.09 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.57 158.47 43.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.794 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.529 HG22 ' CE2' ' A' ' 98' ' ' TYR . 17.9 mt -124.46 110.57 25.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 7.5 t-160 -59.26 129.57 42.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.644 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.0 mt -109.48 22.08 16.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.566 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -72.23 82.92 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.2 28.85 52.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.6 p -69.4 173.19 6.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 36.3 t -122.5 149.01 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.43 ' CG1' HG12 ' A' ' 112' ' ' ILE . 25.1 t -120.52 138.08 52.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.491 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.4 t -158.68 175.42 13.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.82 163.13 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 88' ' ' PHE . 10.7 m -85.85 -157.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.88 35.87 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.7 t -71.07 72.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -92.79 -60.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.2 m -147.14 154.19 40.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 176.81 125.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.17 -124.44 25.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.47 -55.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.338 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -81.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.4 t -170.38 104.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -109.84 -56.7 2.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -136.87 121.56 18.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -77.53 -146.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -81.67 126.66 32.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.442 ' CD2' ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -136.69 166.29 23.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 7.0 p90 -152.52 151.04 30.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.491 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 6.4 tt0 -100.01 145.43 27.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.468 HD11 ' CE1' ' A' ' 88' ' ' PHE . 93.5 mt -138.4 106.09 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.6 mt -86.9 142.8 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.1 p -106.79 179.15 4.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.73 -16.23 60.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.411 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 29.0 t70 -95.86 -1.09 50.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.565 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 79.27 5.05 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.545 HG12 ' CE2' ' A' ' 98' ' ' TYR . 43.7 t -65.28 129.98 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.565 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 7.5 m-70 -102.91 143.94 31.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.626 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.545 ' CE2' HG12 ' A' ' 96' ' ' VAL . 72.0 m-85 -136.3 135.47 38.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.47 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 60.7 m-85 -111.52 107.49 16.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.4 OUTLIER -115.61 132.63 56.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.442 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 3.9 tt0 -96.88 123.76 40.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.18 134.03 35.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.167 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.76 -65.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 63.9 p -96.01 162.43 23.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.443 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.74 21.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -91.03 -28.23 18.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -71.06 -35.79 72.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.302 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -58.9 -44.88 91.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -69.26 -41.76 76.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.4 mt-10 -58.8 -59.8 4.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.445 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 9.4 m95 -43.83 -60.61 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 107.981 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.43 HG12 ' CG1' ' A' ' 70' ' ' VAL . 3.1 mt -41.08 -66.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.38 -30.85 42.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.463 ' HA ' ' CE ' ' A' ' 117' ' ' MET . . . -66.07 -56.11 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.5 mt -57.72 -36.43 54.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.093 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 120' ' ' ARG . 4.4 mt-30 -64.09 -51.44 64.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -48.37 -42.19 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.427 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -69.58 -66.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 30.3 t -48.83 -29.01 4.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' GLN . 18.4 mmt-85 -60.7 -46.34 90.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 120' ' ' ARG . 1.7 t -38.44 141.93 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.108 . . . . 0.0 110.416 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -109.72 116.15 4.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.558 1.161 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -42.4 111.49 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.0 m -104.62 101.36 11.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -83.07 -161.9 31.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.3 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.0 m 62.0 137.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 36.8 m -138.28 95.81 3.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.4 p -68.9 -178.63 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 0.0 110.044 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.8 84.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.029 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.04 -124.01 5.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 41.73 81.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.986 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 p -146.55 -53.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.63 56.71 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 9' ' ' ILE . 2.6 t 57.9 161.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 0.737 . . . . 0.0 109.239 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' A' ' 10' ' ' LEU . 11.9 mt 56.4 162.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.487 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 3.2 tm? -132.11 103.78 6.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -82.43 -171.2 3.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.12 -40.72 15.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -15.82 21.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.247 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -104.41 24.11 12.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.483 ' HD3' ' CD1' ' A' ' 10' ' ' LEU . 5.6 mmm180 -103.87 -168.7 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.85 160.06 7.53 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 m -87.94 -178.11 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.486 ' CG2' ' HG3' ' A' ' 21' ' ' GLN . 24.1 mm -105.35 143.55 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.476 HD13 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -112.19 -27.54 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -168.91 147.26 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.486 ' HG3' ' CG2' ' A' ' 18' ' ' ILE . 59.9 mt-30 -140.02 159.78 41.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.63 -170.48 35.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.1 p -106.49 159.87 15.84 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.505 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 12.6 mt -154.03 152.66 30.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -96.65 100.22 11.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -89.97 119.23 30.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -85.93 137.9 32.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 147.81 66.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -163.47 165.16 24.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.586 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -61.9 -42.83 99.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.67 145.46 2.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -65.36 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -55.44 -179.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -88.47 -168.22 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 108.006 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.42 118.79 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.431 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 41.5 t -63.68 142.81 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.03 151.97 22.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 50' ' ' TYR . 8.1 tptt -83.21 141.65 31.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.505 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 10.2 m-85 -137.62 113.62 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.446 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 66.3 mt -109.17 132.52 57.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.5 tp -108.12 135.56 49.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.476 ' CA ' HD13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -139.15 126.49 21.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -101.67 138.82 38.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.507 ' N ' ' C ' ' A' ' 45' ' ' PRO . 52.2 t0 58.45 76.58 0.45 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.507 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.5 Cg_endo -75.01 164.91 87.31 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.044 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.54 96.79 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.425 ' N ' HD13 ' A' ' 65' ' ' LEU . 5.2 m-85 -144.89 162.86 35.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.157 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 63' ' ' ILE . 1.5 tm? -130.77 111.04 11.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.578 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 45.1 m80 -105.69 140.62 38.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.615 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.576 ' CE1' ' O ' ' A' ' 61' ' ' GLY . 3.0 p90 -134.42 125.87 28.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.53 ' CE2' ' HB3' ' A' ' 59' ' ' PRO . 3.4 m-85 -113.11 159.94 18.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 12.0 t70 -64.39 143.08 98.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -46.01 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.475 1.776 . . . . 0.0 110.958 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.409 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -60.41 -31.95 70.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.94 157.07 7.07 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.475 1.109 . . . . 0.0 111.056 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 171.12 -33.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 76.15 -69.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.84 149.32 96.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.96 133.92 17.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.27 -29.6 63.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.576 ' O ' ' CE1' ' A' ' 50' ' ' TYR . . . 170.76 173.66 38.1 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.578 ' HB1' ' CE1' ' A' ' 49' ' ' HIS . . . -118.7 166.73 12.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.47 ' CD1' HD11 ' A' ' 48' ' ' LEU . 35.7 mt -133.7 113.93 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.616 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 2.0 t-80 -56.43 124.99 20.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.628 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.425 HD13 ' N ' ' A' ' 47' ' ' TYR . 72.3 mt -110.72 -29.62 7.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.616 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 3.3 mtt-85 -36.59 -50.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.346 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.05 56.37 0.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.3 p -106.08 178.68 4.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 91' ' ' ILE . 46.3 t -140.47 141.57 32.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 116' ' ' GLN . 37.4 t -108.12 138.44 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.486 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.2 t -157.18 175.84 13.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.97 144.91 42.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.02 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.5 m -71.27 -160.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -126.83 -45.68 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 p 48.72 -175.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' SER . 0.7 OUTLIER -86.5 165.55 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 76' ' ' ASN . 23.1 p -39.37 -56.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.18 87.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.28 -46.83 5.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.42 82.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 0.773 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 82' ' ' SER . 0.0 OUTLIER 72.62 167.25 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.329 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER 83.89 117.09 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 67.62 -63.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 82' ' ' SER . 28.9 mt-10 -145.56 126.97 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.252 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -74.66 -149.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -79.94 123.57 27.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.488 ' CD2' ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -132.7 -177.67 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 14.7 p90 -169.97 149.63 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.486 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 5.4 tt0 -99.88 138.5 36.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.7 mt -131.71 108.79 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 69' ' ' VAL . 2.6 mt -88.73 141.88 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.451 HG21 ' CG2' ' A' ' 63' ' ' ILE . 34.5 p -104.7 -179.58 3.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.28 -15.17 62.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 1.5 m-20 -97.33 -0.19 46.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.598 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 78.7 5.43 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.438 HG11 ' CZ ' ' A' ' 98' ' ' TYR . 20.1 t -63.95 131.26 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 12.6 m-70 -102.92 138.17 40.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.566 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.438 ' CZ ' HG11 ' A' ' 96' ' ' VAL . 61.1 m-85 -133.3 134.33 43.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -111.33 107.57 16.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -114.79 128.48 56.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.488 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 4.6 tt0 -93.47 129.04 39.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.15 122.5 41.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.76 -63.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.9 p -93.82 164.12 21.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.431 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -16.0 20.56 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.525 1.802 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.94 -48.75 12.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.522 ' HG3' ' CD1' ' A' ' 111' ' ' TRP . 1.9 tp10 -50.18 -48.95 53.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -43.96 37.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.81 -50.46 24.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 114' ' ' ALA . 6.7 mt-10 -52.83 -56.83 12.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.522 ' CD1' ' HG3' ' A' ' 107' ' ' GLU . 3.7 m95 -43.6 -59.16 2.3 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.447 HG12 ' CG1' ' A' ' 70' ' ' VAL . 1.7 mt -41.03 -66.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -55.68 -29.98 60.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 110' ' ' GLU . . . -62.55 -57.22 11.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.455 HG21 ' CG2' ' A' ' 70' ' ' VAL . 1.7 mp -58.8 -40.28 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.465 ' HG2' ' CG2' ' A' ' 70' ' ' VAL . 4.4 mt-30 -60.54 -50.42 73.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.456 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -50.06 -44.13 51.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.444 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -74.79 -59.73 2.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.7 p -47.59 -34.63 8.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -59.69 -33.38 71.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 118' ' ' ALA . 31.0 p 44.29 -165.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -71.4 -28.23 70.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.67 -76.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.42 106.16 8.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.945 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 162.59 160.95 11.57 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -49.67 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 51.7 p -166.4 -57.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.963 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.0 t -157.1 -57.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.032 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.42 71.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.986 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 m -122.8 134.36 54.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.025 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.39 93.01 0.16 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.561 1.163 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 p -137.15 123.63 20.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 109.961 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -85.12 97.25 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.36 -176.58 32.92 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 p -132.26 169.71 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 10' ' ' LEU . 1.7 mp -49.8 163.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.495 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 6.8 tt -143.16 155.27 44.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.491 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 28.1 mttt -54.04 -176.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.84 -7.05 14.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.586 ' OE2' ' CZ ' ' A' ' 14' ' ' PHE . 12.0 pt-20 -92.57 -2.54 56.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.586 ' CZ ' ' OE2' ' A' ' 13' ' ' GLU . 20.2 m-85 -136.85 44.69 2.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -126.22 20.31 7.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 110.331 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -107.41 -137.85 8.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 p -143.77 161.21 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 21' ' ' GLN . 48.6 mm -94.06 144.79 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.476 HD13 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -110.91 -40.68 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -150.95 150.07 30.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.469 ' HG3' ' CG2' ' A' ' 18' ' ' ILE . 48.9 mt-30 -146.48 158.43 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.9 -171.97 37.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.0 p -110.47 139.17 45.94 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 mt -131.89 162.46 30.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -100.67 99.23 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -86.47 116.8 24.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.445 ' HG3' ' CD2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -91.64 140.88 29.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.18 -101.26 2.05 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -164.95 -57.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 0.776 . . . . 0.0 109.588 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -38.63 71.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.24 138.84 55.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -72.74 -76.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -73.9 -165.51 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.445 ' CD2' ' HG3' ' A' ' 27' ' ' GLN . 6.6 m95 -98.79 -168.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.015 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -153.36 119.22 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.521 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 40.5 t -64.25 140.59 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -156.08 154.62 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.88 131.44 35.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -127.44 112.86 15.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.501 ' CD1' ' CE1' ' A' ' 51' ' ' TYR . 51.5 mt -107.47 129.14 61.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.1 tp -107.51 135.87 48.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.476 ' CA ' HD13 ' A' ' 19' ' ' ILE . 4.4 ptp180 -138.29 126.03 22.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.07 144.19 30.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.516 ' N ' ' C ' ' A' ' 45' ' ' PRO . 15.6 t70 57.82 76.12 0.49 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.516 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -75.01 169.41 74.64 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.998 0.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.49 96.69 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.559 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 6.7 m-85 -145.37 161.59 39.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 40' ' ' ILE . 1.1 tm? -131.75 110.97 11.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -105.22 147.87 27.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.63 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.496 ' CE1' ' C ' ' A' ' 61' ' ' GLY . 2.1 p90 -132.95 149.9 52.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.615 ' N ' ' CD1' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -137.22 148.26 46.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 110.977 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 55' ' ' GLY . 1.1 t70 -61.78 138.7 95.44 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.441 ' C ' ' N ' ' A' ' 55' ' ' GLY . 18.4 Cg_endo -75.01 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -41.38 -29.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 53' ' ' PRO . . . 129.91 137.57 4.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -168.29 179.51 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -115.22 -53.23 2.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -102.14 152.81 38.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.562 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.0 144.97 30.88 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.793 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -58.92 -44.84 91.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.496 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . -172.9 -164.71 28.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.5 163.09 37.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.469 ' CG2' ' CG2' ' A' ' 92' ' ' THR . 19.9 mt -119.17 116.95 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.559 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 5.7 t-160 -61.66 119.49 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.602 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.3 mt -102.59 10.64 38.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.491 ' HD2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -52.4 -60.99 2.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.3 35.29 2.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 15.6 p -74.93 175.61 7.93 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -137.9 151.09 25.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 116' ' ' GLN . 25.0 t -116.37 138.59 46.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.498 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -153.83 175.73 12.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.413 ' N ' HG22 ' A' ' 71' ' ' THR . 0.3 OUTLIER -118.69 162.59 18.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.2 m -98.67 -167.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -125.49 26.1 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 84.6 p -43.41 -57.07 3.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 57.64 93.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 p -55.13 -20.16 9.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -68.19 101.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 81' ' ' LYS . . . 174.41 80.41 0.05 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 56.75 -87.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 79' ' ' GLY . 0.6 OUTLIER -102.85 -169.04 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -73.04 -63.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 67.5 -64.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 82' ' ' SER . 58.0 mt-10 -133.38 121.86 22.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -66.82 -147.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.465 ' ND2' ' CA ' ' A' ' 105' ' ' PRO . 69.5 m-80 -90.07 111.05 22.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.31 178.17 4.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 33.1 p90 -165.94 156.05 12.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.498 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 36.2 tt0 -105.93 149.97 26.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 52.9 mt -143.35 109.35 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -86.83 141.27 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.469 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 42.3 p -102.26 -165.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.03 -21.48 56.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.444 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 0.2 OUTLIER -93.89 2.35 56.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.594 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.7 mt-10 80.0 2.13 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.521 HG13 ' CZ ' ' A' ' 98' ' ' TYR . 24.8 t -59.87 130.16 23.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 9.1 m-70 -103.5 141.34 36.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.604 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.521 ' CZ ' HG13 ' A' ' 96' ' ' VAL . 44.2 m-85 -134.8 128.89 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -111.39 107.44 16.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.4 OUTLIER -110.49 145.74 37.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -97.92 122.86 41.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.17 121.25 34.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.06 -62.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.4 p -100.26 162.48 20.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 110.424 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.465 ' CA ' ' ND2' ' A' ' 86' ' ' ASN . 18.4 Cg_endo -75.0 -7.65 19.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -91.55 -33.27 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.44 -39.34 94.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.423 ' NH1' ' O ' ' A' ' 105' ' ' PRO . 1.7 tmm_? -57.82 -45.21 86.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -71.27 -41.91 69.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 110.364 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.9 mt-10 -60.32 -55.58 31.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' ALA . 6.1 m95 -45.92 -59.77 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 108.009 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.431 HG12 ' CG1' ' A' ' 70' ' ' VAL . 0.7 OUTLIER -43.2 -64.14 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.97 -26.86 39.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 111' ' ' TRP . . . -72.18 -57.43 4.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.7 mp -58.16 -43.38 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.46 ' HG2' ' CG2' ' A' ' 70' ' ' VAL . 4.6 mt-30 -57.74 -52.08 66.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.454 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -48.17 -44.93 32.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.444 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -69.78 -66.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 118' ' ' ALA . 86.3 p -37.98 -49.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 68.3 mtt-85 -66.68 -46.61 75.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.243 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 39.05 90.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -99.15 69.57 0.57 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.49 124.12 3.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.772 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.6 p -59.5 124.2 19.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -158.96 157.67 28.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -44.82 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 t -85.88 94.79 9.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 72.1 p -45.19 129.88 7.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.57 164.51 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 0.0 110.03 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.39 -60.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.024 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.37 -169.27 22.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m 61.02 -95.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.96 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.0 p -102.98 133.28 48.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.15 126.73 3.95 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.124 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' ILE . 12.1 t -105.25 151.99 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.319 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' VAL . 9.8 mt -39.88 154.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -135.43 97.06 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -45.7 158.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -80.06 -52.01 8.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -57.28 -16.55 8.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.64 ' CD1' ' NH1' ' A' ' 42' ' ' ARG . 13.6 m-30 -101.38 5.84 42.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -68.82 60.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' PHE . . . -166.7 -161.2 15.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.554 1.159 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.4 p -128.62 168.05 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.748 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 13.8 mt -92.51 165.23 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.495 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -131.19 -44.02 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -145.95 147.52 31.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -146.5 157.66 43.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.68 179.26 31.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.152 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.6 p -98.1 142.76 29.39 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.3 mt -135.73 164.18 28.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -103.15 98.51 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -90.95 127.95 36.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.406 ' HG3' ' CD2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -99.89 118.45 36.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.44 -136.63 8.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -120.49 62.71 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.575 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.97 -39.38 5.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.12 85.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 178.75 -58.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -170.33 178.14 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.406 ' CD2' ' HG3' ' A' ' 27' ' ' GLN . 5.9 m0 -83.9 161.77 20.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 108.042 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.26 129.52 46.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.513 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 23.0 t -72.67 135.21 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -150.65 158.6 44.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -88.7 139.79 30.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 50' ' ' TYR . 10.4 m-85 -135.63 114.63 12.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.454 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 71.3 mt -108.78 131.79 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.6 tp -109.28 136.89 48.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.64 ' NH1' ' CD1' ' A' ' 14' ' ' PHE . 17.6 ptp180 -141.35 126.2 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -100.74 142.67 31.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.509 ' N ' ' C ' ' A' ' 45' ' ' PRO . 9.4 t70 57.77 76.42 0.47 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.509 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.0 169.34 74.82 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.013 -0.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.78 97.08 9.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.416 ' N ' HD11 ' A' ' 65' ' ' LEU . 6.7 m-85 -149.35 152.38 35.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.454 ' CD2' ' O ' ' A' ' 40' ' ' ILE . 0.8 OUTLIER -115.84 114.86 25.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.407 ' NE2' ' HB1' ' A' ' 62' ' ' ALA . 32.3 m80 -106.23 125.69 51.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.63 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 29.8 p90 -122.25 131.83 54.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 59' ' ' PRO . 6.2 m-85 -119.13 160.6 21.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -70.28 143.63 91.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -49.98 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.544 1.813 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -43.35 -35.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.09 149.93 5.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -179.81 176.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 109.333 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.35 -58.17 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.22 154.98 47.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.564 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.92 126.65 10.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 3.8 mt -42.87 -28.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 59' ' ' PRO . . . 168.86 -166.26 39.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.407 ' HB1' ' NE2' ' A' ' 49' ' ' HIS . . . -141.31 147.62 38.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.461 ' CG2' HG22 ' A' ' 92' ' ' THR . 49.1 mt -110.7 128.42 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.526 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 25.4 t60 -63.71 126.46 27.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.649 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' ' 66' ' ' ARG . 49.2 mt -118.5 -34.53 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.526 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 7.8 mtt180 -30.96 -45.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.47 ' H ' ' CD2' ' A' ' 64' ' ' HIS . . . -137.24 58.56 0.64 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.567 1.167 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 20.4 p -105.24 -177.48 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.7 t -137.55 147.27 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.469 ' CG1' HG12 ' A' ' 112' ' ' ILE . 38.4 t -114.53 140.6 34.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.474 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.0 OUTLIER -157.7 175.88 13.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 110.373 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.33 153.66 32.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.046 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 88' ' ' PHE . 16.0 m -83.37 -179.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -117.67 26.21 9.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.8 m -83.56 161.49 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 37.2 t30 63.68 171.01 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.02 171.22 19.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -40.92 104.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 125.58 -170.64 17.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.73 119.95 17.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.95 -46.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.66 124.56 14.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.033 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -51.1 -59.11 4.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -44.89 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -161.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -74.2 109.5 7.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.471 ' CD2' ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -115.04 -179.24 3.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 12.8 p90 -169.14 149.02 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.474 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 6.2 tt0 -99.63 140.76 33.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.427 ' N ' ' HG2' ' A' ' 89' ' ' GLU . 80.6 mt -132.67 103.45 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 68' ' ' CYS . 2.4 mt -83.4 143.84 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.461 HG22 ' CG2' ' A' ' 63' ' ' ILE . 68.2 p -110.12 175.25 5.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.485 ' CB ' ' CD2' ' A' ' 64' ' ' HIS . . . -59.09 -20.22 51.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -91.61 -1.96 57.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.612 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 78.62 5.43 2.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.508 HG11 ' CZ ' ' A' ' 98' ' ' TYR . 45.5 t -63.46 132.97 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.612 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 11.0 m-70 -106.97 138.18 43.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.508 ' CZ ' HG11 ' A' ' 96' ' ' VAL . 61.5 m-85 -132.18 141.77 49.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -115.51 109.15 17.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.5 OUTLIER -117.29 139.52 50.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.471 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 4.3 tt0 -105.51 125.56 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.4 124.13 36.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.93 -53.18 6.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.403 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 38.4 p -108.07 163.28 17.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.403 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.96 -15.99 20.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -84.51 -31.53 24.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.08 -40.79 82.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.02 -46.71 71.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.9 -41.57 78.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.428 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.88 -52.94 63.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 14.3 m95 -50.64 -61.24 2.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 108.002 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.469 HG12 ' CG1' ' A' ' 70' ' ' VAL . 1.0 OUTLIER -40.38 -62.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.76 -39.56 71.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.07 -55.56 31.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mt -58.86 -43.24 87.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -57.08 -52.01 67.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.435 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -47.97 -46.43 32.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.963 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -69.55 -65.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 79.9 p -43.49 -33.47 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -59.82 -42.77 94.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 118' ' ' ALA . 2.2 t -49.5 -38.12 29.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -89.52 -59.04 1.57 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.86 130.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.3 p -54.53 -59.15 5.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 123.47 167.78 12.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.477 1.11 . . . . 0.0 111.063 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 58.77 4.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.24 104.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 82.5 p -122.21 101.67 7.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.954 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 p -117.33 81.81 1.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.041 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -172.32 -55.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.8 97.55 0.67 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.03 132.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 110.021 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -77.86 137.2 38.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.87 -119.33 0.89 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' ' 9' ' ' ILE . 21.2 t -119.13 158.25 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.4 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 3.6 mm -48.91 151.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.464 ' CD1' ' O ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -81.68 104.09 11.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 15.5 mttt -55.9 -169.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -105.07 -43.98 4.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -64.64 -15.11 60.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -104.46 11.82 34.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -77.98 55.36 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -157.29 -149.82 5.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.28 164.25 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.502 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 15.9 mt -93.35 165.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.502 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -141.17 -43.38 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HG2' ' CD2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -132.64 146.69 52.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.409 ' NE2' HG21 ' A' ' 18' ' ' ILE . 34.6 mt-30 -154.85 149.21 26.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.71 -170.9 34.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.2 m -99.85 152.2 20.41 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.535 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 16.6 mt -150.08 155.21 39.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -97.39 98.8 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -89.75 122.66 33.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.03 149.7 23.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -145.32 -144.64 4.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -114.51 64.28 0.67 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 0.749 . . . . 0.0 109.617 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -107.71 -40.29 5.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.97 80.02 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.8 -43.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 171.7 -171.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.405 ' CD1' ' N ' ' A' ' 34' ' ' TRP . 5.4 m0 -90.77 -176.97 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HG2' ' CZ ' ' A' ' 37' ' ' ARG . 2.2 tttt -148.27 136.57 21.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.445 HG23 ' CD1' ' A' ' 25' ' ' LEU . 16.4 t -79.75 135.28 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 35' ' ' LYS . 78.9 mtt-85 -153.06 152.2 31.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -80.36 141.65 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.535 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 8.1 m-85 -136.46 114.38 11.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.442 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 72.2 mt -109.86 132.0 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.411 ' CD1' HD13 ' A' ' 65' ' ' LEU . 30.4 tp -108.38 139.02 43.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.473 ' CA ' HD12 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -140.52 126.92 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -102.47 143.99 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.233 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.518 ' N ' ' C ' ' A' ' 45' ' ' PRO . 28.2 t70 54.28 76.06 0.56 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.518 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.0 170.49 71.71 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.973 0.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.33 95.97 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.651 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 5.7 m-85 -142.34 163.23 33.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' CD2' ' O ' ' A' ' 40' ' ' ILE . 0.7 OUTLIER -133.76 111.1 10.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 62' ' ' ALA . 63.6 m80 -102.76 144.7 30.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -136.48 122.43 20.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 59' ' ' PRO . 12.9 m-85 -109.86 158.76 17.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 9.0 t70 -68.4 140.16 92.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.515 1.798 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.417 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -44.44 -30.08 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.25 142.13 4.28 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -169.77 -176.99 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -120.8 -63.54 1.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -93.69 162.29 27.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.529 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.96 128.17 11.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -47.32 -30.82 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 178.78 -162.29 29.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.548 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . . . -156.22 152.25 27.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.419 HG22 ' CE1' ' A' ' 98' ' ' TYR . 13.6 mt -117.36 115.71 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.651 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 6.4 t-160 -64.05 128.74 37.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.616 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.419 HD11 ' N ' ' A' ' 47' ' ' TYR . 25.9 mt -106.03 16.6 24.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.558 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -70.94 87.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.73 20.33 66.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.9 p -61.25 176.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.6 t -135.07 140.09 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.484 ' CG1' HG12 ' A' ' 112' ' ' ILE . 25.6 t -110.58 138.92 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.467 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -158.23 168.74 26.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.46 162.43 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.0 m -90.38 -167.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -152.3 22.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.1 m -40.11 -70.08 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 174.03 143.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.0 t -177.46 81.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -178.09 -64.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.88 -40.86 1.25 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.19 139.6 10.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -168.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.68 116.46 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -152.44 -50.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.282 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -148.09 129.75 15.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.417 ' HG3' ' NE2' ' A' ' 101' ' ' GLN . 6.8 mt-10 -74.12 -147.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -85.11 114.29 22.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.444 ' CD2' ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -123.52 170.48 10.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 19.4 p90 -156.7 148.84 23.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 3.9 tt0 -99.87 136.76 39.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 115' ' ' ILE . 75.7 mt -130.03 116.91 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.4 mt -95.55 144.11 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.402 HG21 ' CG2' ' A' ' 63' ' ' ILE . 36.9 p -106.46 -172.2 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.41 1.069 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.73 -7.7 51.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.432 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 0.1 OUTLIER -105.62 2.14 27.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.504 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.3 mt-10 77.41 4.49 3.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.536 HG11 ' CE1' ' A' ' 98' ' ' TYR . 48.9 t -66.11 128.93 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.6 m-70 -100.91 144.3 30.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.607 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.536 ' CE1' HG11 ' A' ' 96' ' ' VAL . 79.0 m-85 -135.6 127.39 29.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -105.86 109.02 20.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.4 OUTLIER -116.3 132.6 56.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.444 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 3.6 tt0 -97.35 131.01 44.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . -103.24 124.65 49.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -39.67 -62.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 51.4 p -99.27 162.81 20.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -18.27 18.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.6 ttpp -79.0 -28.42 43.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -73.08 -41.47 64.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 110.258 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -46.16 -49.83 16.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.496 ' CG2' ' HD2' ' A' ' 113' ' ' LYS . 2.5 m -68.11 -63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 109' ' ' THR . 8.4 mt-10 -35.27 -57.74 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.435 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 3.0 m95 -49.8 -57.8 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 107.979 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.484 HG12 ' CG1' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -46.49 -63.82 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.496 ' HD2' ' CG2' ' A' ' 109' ' ' THR . 5.2 mtpt -50.19 -37.13 33.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.14 -51.93 67.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.484 HG23 ' CG2' ' A' ' 70' ' ' VAL . 3.6 mt -57.02 -52.31 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 117' ' ' MET . 38.6 mt-30 -49.43 -62.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.438 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.5 OUTLIER -36.89 -48.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -68.87 -53.75 19.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 60.4 p -46.85 -48.77 20.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.466 ' O ' ' CG2' ' A' ' 121' ' ' THR . 0.2 OUTLIER -58.0 -48.21 80.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 110.303 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.517 ' OG1' ' N ' ' A' ' 122' ' ' GLY . 3.8 t 45.11 -172.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.42 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.517 ' N ' ' OG1' ' A' ' 121' ' ' THR . . . -137.64 79.81 0.3 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.02 78.49 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.11 90.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -178.47 -161.88 27.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -176.45 2.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.46 1.768 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 27.8 m -129.09 81.45 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.8 m 53.7 99.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.962 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.127 . . . . 0.0 110.998 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.05 135.47 48.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -158.03 90.02 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.48 65.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 p -69.14 158.37 35.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.964 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.0 m 47.62 89.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.024 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.9 -147.54 6.06 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.8 p -142.17 170.88 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 0.798 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mm -47.86 150.52 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.51 144.49 51.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.518 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . 15.3 mttt -90.78 -169.82 2.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -95.66 -38.19 10.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.338 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.569 ' HG3' ' CE1' ' A' ' 14' ' ' PHE . 1.5 pm0 -66.44 -11.26 50.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 13' ' ' GLU . 10.8 m-85 -112.82 22.67 14.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.5 mmm-85 -88.88 40.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -137.19 -137.22 3.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.8 p -143.53 170.47 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 109.359 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 32.0 mt -105.06 166.03 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.482 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -140.85 -44.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -133.8 145.98 50.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.409 ' NE2' HG22 ' A' ' 18' ' ' ILE . 32.2 mt-30 -152.61 145.01 24.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.41 -158.33 31.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 93.5 m -124.75 140.26 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.2 mt -131.71 166.8 20.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -104.29 99.48 9.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -85.39 112.33 20.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.56 159.38 6.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.06 62.33 0.51 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -102.85 176.82 5.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 109.574 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.87 -33.65 57.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -104.08 -91.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 33' ' ' ASN . 6.3 tmtm? -148.9 -57.59 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 32' ' ' LYS . 2.7 t30 -39.69 146.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -75.1 -176.66 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 107.982 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.17 120.59 13.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.498 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 39.5 t -64.42 141.69 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -153.13 148.2 26.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.34 128.31 34.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -124.79 121.36 34.37 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.459 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 86.0 mt -113.75 133.76 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.9 tp -108.02 138.18 44.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 45' ' ' PRO . 14.9 mtt85 -138.74 121.06 15.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.434 ' CB ' ' HA ' ' A' ' 118' ' ' ALA . 0.6 OUTLIER -100.32 143.31 30.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.514 ' N ' ' C ' ' A' ' 45' ' ' PRO . 27.8 t70 51.06 76.51 0.54 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.514 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.05 169.62 74.06 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.954 0.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.13 95.71 7.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.537 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 6.4 m-85 -144.07 146.58 32.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -120.34 110.54 16.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.559 ' CD2' ' CB ' ' A' ' 62' ' ' ALA . 72.4 m80 -108.35 144.91 35.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.578 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 4.6 p90 -128.95 144.51 51.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.613 ' N ' ' CD1' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -131.35 166.19 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 55' ' ' GLY . 3.6 t70 -70.42 132.55 87.62 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.6 5.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.771 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.75 -26.75 24.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . 128.75 114.1 1.75 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -159.02 -174.24 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -123.71 -65.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -73.85 135.64 77.42 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.577 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.98 130.74 13.58 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.469 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -39.75 -45.8 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.454 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . -170.39 -171.35 35.71 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.559 ' CB ' ' CD2' ' A' ' 49' ' ' HIS . . . -140.17 170.93 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.438 ' CG2' ' CG2' ' A' ' 92' ' ' THR . 14.7 mt -132.65 117.4 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 3.7 t-160 -61.64 127.79 33.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.642 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.452 HD13 ' CA ' ' A' ' 47' ' ' TYR . 21.9 mt -108.47 7.72 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.43 -61.31 2.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.14 36.08 2.81 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.8 p -74.29 179.82 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 70' ' ' VAL . 44.9 t -146.31 149.99 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.41 ' N ' HG11 ' A' ' 69' ' ' VAL . 42.4 t -116.63 142.5 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.426 HG21 ' N ' ' A' ' 72' ' ' SER . 0.5 OUTLIER -157.58 168.59 26.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.426 ' N ' HG21 ' A' ' 71' ' ' THR . 0.1 OUTLIER -113.88 154.99 26.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.009 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.9 m -98.18 -171.85 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -100.89 14.28 32.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 t -98.61 126.78 44.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -169.81 169.49 8.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.53 98.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -84.28 101.47 11.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.43 -175.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -56.45 13.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 110.281 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -74.17 142.01 45.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.8 t -90.71 117.35 29.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -133.14 -59.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.328 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -142.04 125.09 16.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -87.24 -156.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -68.3 118.77 11.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 101' ' ' GLN . 0.5 OUTLIER -114.78 175.22 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 24.1 p90 -169.74 152.25 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.59 ' OE1' ' CD1' ' A' ' 99' ' ' PHE . 0.7 OUTLIER -103.55 136.95 42.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 60.5 mt -126.15 103.92 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -80.26 137.94 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.438 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 48.2 p -97.5 -165.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.48 -19.96 51.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 0.7 OUTLIER -94.26 0.9 55.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.8 mt-10 83.82 -0.54 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.519 HG11 ' CZ ' ' A' ' 98' ' ' TYR . 44.5 t -59.47 132.53 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 3.6 m-70 -107.49 141.66 38.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.552 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.519 ' CZ ' HG11 ' A' ' 96' ' ' VAL . 63.5 m-85 -133.05 128.78 37.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.59 ' CD1' ' OE1' ' A' ' 89' ' ' GLU . 71.7 m-85 -103.8 107.61 18.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.3 mm? -108.51 170.18 8.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.471 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -136.38 133.65 36.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.86 149.12 26.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.16 -66.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.6 p -87.87 162.93 39.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.417 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.15 15.08 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.5 1.789 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.36 -35.61 54.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -60.64 -56.66 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -38.98 -48.49 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -68.91 -53.02 23.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -46.51 -54.27 9.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -49.01 -61.54 2.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 107.971 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -39.68 -64.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -54.23 -42.77 70.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.428 ' HA ' ' CE ' ' A' ' 117' ' ' MET . . . -53.57 -58.48 7.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.7 mt -54.25 -44.96 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.412 ' O ' ' HD2' ' A' ' 120' ' ' ARG . 3.8 mt-30 -55.67 -59.61 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.437 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -40.83 -44.18 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 0.0 110.985 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 119' ' ' SER . . . -70.99 -68.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 118' ' ' ALA . 55.0 p -36.37 -58.12 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.412 ' HD2' ' O ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -69.91 -37.72 76.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER 38.43 73.97 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.387 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -84.72 52.66 4.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -76.12 -74.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.8 t -95.82 147.77 23.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.87 159.53 15.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 68.62 5.69 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 27.2 p -65.61 153.75 40.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.2 m -117.03 100.39 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 p -141.34 -58.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 m 50.29 83.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.43 68.72 2.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -177.68 121.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.967 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.53 134.7 51.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.65 56.34 0.27 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.8 t -129.74 152.28 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.1 mm -44.19 153.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' A' ' 11' ' ' LYS . 1.2 tm? -125.94 106.81 9.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 8.0 mtmm -54.91 -170.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -103.69 -44.98 4.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' HG3' ' CE1' ' A' ' 14' ' ' PHE . 3.1 pt-20 -61.55 -14.58 30.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 13' ' ' GLU . 21.6 m-85 -113.51 29.1 8.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 15' ' ' ARG . 5.3 mmm180 -88.45 -43.87 11.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.37 -160.76 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.7 171.49 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.488 ' CG2' ' HG3' ' A' ' 21' ' ' GLN . 50.9 mm -90.6 143.64 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.484 HD11 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -112.85 -35.19 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -155.69 148.93 24.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.488 ' HG3' ' CG2' ' A' ' 18' ' ' ILE . 46.0 mt-30 -145.66 168.54 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.23 -174.68 28.74 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.2 m -108.92 134.71 51.23 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.9 mt -130.39 158.94 38.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -94.45 99.89 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HE2' ' CD1' ' A' ' 98' ' ' TYR . 20.5 tttt -86.08 98.07 10.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.99 160.16 21.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.12 -151.47 2.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -95.79 -65.91 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 0.764 . . . . 0.0 109.618 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -43.38 78.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.45 -53.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt 49.95 -172.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -104.98 129.6 53.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -45.28 123.7 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 107.981 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 5.8 mtpt -126.18 162.55 25.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.547 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 36.6 t -107.58 142.29 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.69 150.44 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -80.39 142.18 34.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -136.34 122.84 20.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.458 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 69.1 mt -119.46 130.17 74.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.5 tp -107.8 136.84 46.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.484 ' CA ' HD11 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -139.74 124.84 18.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -100.33 142.67 31.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.52 ' N ' ' C ' ' A' ' 45' ' ' PRO . 4.8 m-20 54.36 76.11 0.55 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.52 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.03 168.99 75.78 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.976 -2.51 . . . . 0.0 110.999 0.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.41 100.9 12.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.438 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 9.3 m-85 -149.8 160.45 43.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -129.92 110.37 11.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -105.42 139.82 39.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 2.0 p90 -125.79 150.2 47.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.583 ' N ' ' CD1' ' A' ' 51' ' ' TYR . 1.2 m-85 -136.0 163.71 29.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -74.75 140.27 74.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -40.4 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.71 -43.19 17.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.29 131.22 2.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -161.26 -161.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -128.5 -62.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.85 152.3 40.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.574 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -75.03 134.37 17.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -40.07 -46.44 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.55 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . -171.48 -163.24 25.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.93 162.75 35.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.43 ' CG2' ' CG2' ' A' ' 92' ' ' THR . 13.2 mt -124.45 116.87 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 5.1 t-160 -58.59 132.11 52.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 47' ' ' TYR . 16.8 mt -115.03 -1.01 13.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.553 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -38.53 -64.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -129.2 35.37 2.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.9 p -67.6 171.58 6.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.05 146.06 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.464 ' CG1' HG12 ' A' ' 112' ' ' ILE . 39.7 t -113.12 140.67 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.421 ' N ' HG11 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -157.52 172.99 17.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.45 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.417 ' N ' HG22 ' A' ' 71' ' ' THR . 0.3 OUTLIER -118.97 147.74 43.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 87' ' ' LEU . 33.2 m -78.14 -176.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -104.97 -38.1 6.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.8 p 44.45 70.86 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 77' ' ' SER . 9.8 p30 -53.02 150.21 5.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 1.4 m 166.93 108.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.064 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -82.93 110.14 17.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.83 -132.08 11.59 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.54 89.26 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.58 165.15 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.18 119.36 39.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -154.64 -64.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -145.22 127.21 15.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -64.35 -147.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -92.85 111.72 23.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -126.4 174.26 8.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 19.0 p90 -153.89 148.4 26.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' HB3' HG21 ' A' ' 71' ' ' THR . 40.2 tt0 -100.24 133.33 44.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 88' ' ' PHE . 89.2 mt -124.96 106.03 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.401 HG12 ' ND1' ' A' ' 97' ' ' HIS . 2.6 mt -83.76 142.49 13.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.43 ' CG2' ' CG2' ' A' ' 63' ' ' ILE . 31.7 p -106.38 -179.09 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.451 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.98 -12.94 58.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.412 ' HB3' ' CG2' ' A' ' 96' ' ' VAL . 0.6 OUTLIER -98.06 0.21 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.588 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.5 mt-10 77.73 4.46 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.503 HG12 ' CZ ' ' A' ' 98' ' ' TYR . 45.2 t -67.53 130.14 32.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 3.2 m-70 -103.82 147.14 27.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.563 ' CD1' ' HE2' ' A' ' 26' ' ' LYS . 38.3 m-85 -141.57 123.77 15.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -98.89 107.2 19.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 1.6 mm? -108.59 128.59 54.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.468 ' CB ' HD22 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -93.97 116.04 28.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.42 142.03 31.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.36 -62.36 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.4 p -106.62 167.53 9.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -8.09 19.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -88.57 -35.06 17.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -68.13 -44.19 76.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.26 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.15 -46.6 54.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -69.34 -42.31 75.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.399 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.2 mt-10 -59.39 -56.39 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.452 ' O ' ' N ' ' A' ' 114' ' ' ALA . 9.7 m95 -42.28 -61.88 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 108.061 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.464 HG12 ' CG1' ' A' ' 70' ' ' VAL . 2.4 mt -40.16 -68.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -51.33 -31.81 23.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.471 ' HA ' ' CE ' ' A' ' 117' ' ' MET . . . -65.51 -58.14 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.5 mt -59.28 -39.02 77.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' ARG . 3.1 mm100 -61.74 -49.18 77.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -49.47 -43.87 45.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.67 -57.56 4.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 91.6 p -51.84 -31.12 26.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 116' ' ' GLN . 38.0 mmt-85 -59.0 -31.97 69.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.0 p 45.24 -167.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -127.91 17.6 6.01 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 79.22 150.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.76 88.98 3.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 170.0 -162.96 36.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -46.98 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.04 143.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 48.84 89.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.435 HG22 ' N ' ' A' ' 18' ' ' ILE . 10.4 p . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.489 HD13 ' HA ' ' A' ' 18' ' ' ILE . 13.3 mm -91.84 143.89 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.453 ' CG2' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -115.37 -36.92 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HG2' ' CH2' ' A' ' 111' ' ' TRP . 30.7 tttp -156.22 146.76 21.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.472 ' HG2' HG23 ' A' ' 40' ' ' ILE . 34.8 mt-30 -144.29 147.87 34.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.32 -171.08 43.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.6 m -106.61 135.11 48.7 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 101' ' ' GLN . 13.5 mt -131.1 157.1 44.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.793 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -103.69 100.43 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 37.8 tttt -84.33 127.84 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.791 HG22 HD11 ' A' ' 25' ' ' LEU . 39.3 t -58.98 138.42 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.84 141.42 19.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 10.8 tttt -79.98 98.39 7.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.686 ' CD2' HD11 ' A' ' 48' ' ' LEU . 5.2 m-85 -87.73 113.27 23.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.872 HD12 ' CE1' ' A' ' 51' ' ' TYR . 72.4 mt -106.67 129.87 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.423 HD23 HG13 ' A' ' 19' ' ' ILE . 19.9 tp -107.6 136.78 46.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 45' ' ' PRO . 1.8 ptm180 -139.05 124.55 19.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -100.01 141.29 33.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.523 ' N ' ' C ' ' A' ' 45' ' ' PRO . 39.9 t0 56.75 75.81 0.54 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.523 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.0 169.97 73.12 Favored 'Cis proline' 0 C--N 1.359 1.107 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.966 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.72 98.74 9.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.684 ' CZ ' ' CD2' ' A' ' 64' ' ' HIS . 6.5 m-85 -145.64 157.81 43.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.873 HD12 HD12 ' A' ' 63' ' ' ILE . 1.3 tm? -123.66 110.69 15.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.157 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.791 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 58.5 m80 -105.95 140.31 39.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 27.2 p90 -130.09 120.96 25.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.872 ' CE1' HD12 ' A' ' 40' ' ' ILE . 17.2 m-85 -106.96 175.04 5.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.711 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 7.7 t70 -87.53 139.13 31.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.47 ' HG3' HG12 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -75.03 -37.05 2.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.711 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -49.31 -41.59 38.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.49 -95.24 0.11 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.575 1.172 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 62.15 -175.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -137.74 -55.25 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.84 163.26 22.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.518 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.0 133.27 16.37 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 1.3 mt -52.45 -28.19 19.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -178.83 -154.27 12.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.791 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -164.21 150.49 11.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.873 HD12 HD12 ' A' ' 48' ' ' LEU . 9.7 mt -117.51 119.06 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.684 ' CD2' ' CZ ' ' A' ' 47' ' ' TYR . 4.7 t-160 -65.51 139.22 58.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.568 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.438 HD22 ' SG ' ' A' ' 68' ' ' CYS . 14.2 mt -125.03 7.13 7.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.5 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 7.1 ptt180 -45.56 -27.16 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -165.27 36.75 0.27 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.466 1.103 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.438 ' SG ' HD22 ' A' ' 65' ' ' LEU . 31.1 p -72.1 172.12 10.7 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.4 t -132.38 146.72 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.997 HG11 HG23 ' A' ' 112' ' ' ILE . 31.8 t -113.43 139.83 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.84 158.47 36.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.411 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.23 157.6 16.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.656 HG21 ' HB2' ' A' ' 87' ' ' LEU . 26.9 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.538 ' O ' HD23 ' A' ' 87' ' ' LEU . 86.5 m-20 58.03 86.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.656 ' HB2' HG21 ' A' ' 73' ' ' VAL . 2.1 mt -132.76 170.34 15.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 25.9 p90 -168.99 146.76 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 90' ' ' ILE . 1.1 tt0 -99.93 136.5 39.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.428 ' N ' ' HG2' ' A' ' 89' ' ' GLU . 82.7 mt -126.17 103.53 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -79.51 139.67 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.8 p -101.89 -171.54 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.431 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.32 -18.57 61.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.616 ' HB3' HG23 ' A' ' 96' ' ' VAL . 2.1 m-20 -94.21 0.04 55.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.5 mt-10 80.93 0.2 1.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.616 HG23 ' HB3' ' A' ' 94' ' ' ASP . 40.0 t -58.94 135.98 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 8.8 m-70 -108.07 139.9 42.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.603 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -137.42 125.18 22.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -102.95 107.27 18.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.7 mm? -101.45 173.65 6.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.628 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -139.59 128.03 22.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.539 ' HB1' ' HG2' ' A' ' 107' ' ' GLU . . . -99.55 145.01 27.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.64 -63.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.1 p -91.99 162.14 31.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.438 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -9.22 20.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.791 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -90.58 -33.69 15.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.539 ' HG2' ' HB1' ' A' ' 102' ' ' ALA . 1.9 tt0 -65.67 -45.05 84.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.702 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -49.0 -47.61 44.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -70.62 -52.69 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.445 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.3 mt-10 -48.73 -53.52 18.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.257 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.651 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 2.9 m95 -47.19 -62.14 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.997 HG23 HG11 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -39.82 -66.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 112' ' ' ILE . 23.3 mtmt -52.64 -37.77 59.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -57.18 -57.29 13.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -58.18 -44.99 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.716 ' HG2' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -55.59 -50.29 70.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.485 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -50.41 -44.27 55.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -72.48 -57.89 3.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 80.4 p -48.29 -32.5 7.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.507 HG22 ' H ' ' A' ' 18' ' ' ILE . 6.3 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.636 HD12 ' CG2' ' A' ' 40' ' ' ILE . 26.8 mm -91.32 139.22 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.42 HG13 HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -112.75 -31.03 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -158.99 149.33 19.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.25 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.481 ' HG3' ' CG2' ' A' ' 18' ' ' ILE . 30.5 mt-30 -152.23 151.14 30.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.57 178.93 35.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.483 ' O ' HD23 ' A' ' 24' ' ' LEU . 4.1 m -95.57 148.46 22.49 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.507 ' C ' HD22 ' A' ' 25' ' ' LEU . 45.0 mt -141.33 164.32 30.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.806 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -105.99 99.26 8.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' GLN . 16.0 tttt -82.48 107.16 14.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' LYS . 1.8 tm0? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.785 HG22 ' CD1' ' A' ' 25' ' ' LEU . 24.5 t -70.46 137.32 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.82 151.22 31.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -88.1 135.1 33.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.788 ' CD2' HD11 ' A' ' 48' ' ' LEU . 15.0 m-85 -130.1 120.87 25.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.954 HD12 ' CE1' ' A' ' 51' ' ' TYR . 89.9 mt -113.23 130.7 66.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.42 HD23 HG13 ' A' ' 19' ' ' ILE . 18.3 tp -108.32 135.16 50.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.52 125.26 18.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -99.67 142.29 31.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.505 ' N ' ' C ' ' A' ' 45' ' ' PRO . 4.4 m-20 57.49 76.65 0.46 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.505 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.0 169.94 73.21 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.009 -0.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.7 99.68 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.447 ' N ' HD12 ' A' ' 65' ' ' LEU . 6.8 m-85 -148.37 166.81 26.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.977 ' CD1' HD12 ' A' ' 63' ' ' ILE . 1.5 tm? -132.53 112.27 11.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.74 ' NE2' ' HB2' ' A' ' 62' ' ' ALA . 38.4 m80 -109.35 129.23 55.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.621 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 7.9 p90 -118.98 121.08 39.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.954 ' CE1' HD12 ' A' ' 40' ' ' ILE . 11.1 m-85 -107.47 151.56 25.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 8.1 t70 -58.8 135.61 86.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -46.95 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.418 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -47.25 -33.4 5.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 146.97 143.71 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 178.93 -178.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -122.53 -63.65 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -87.26 156.47 54.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.555 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.97 139.43 24.35 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.461 1.769 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 4.4 mt -54.93 -32.0 60.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 176.61 -174.46 47.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.74 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . . . -131.71 165.31 24.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.977 HD12 ' CD1' ' A' ' 48' ' ' LEU . 24.4 mt -133.45 116.2 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.458 ' CE1' ' CD ' ' A' ' 66' ' ' ARG . 9.8 t60 -53.86 126.7 23.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.574 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 47' ' ' TYR . 85.5 mt -113.04 -30.23 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.458 ' CD ' ' CE1' ' A' ' 64' ' ' HIS . 3.0 mtt-85 -37.3 -47.45 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.78 56.97 0.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.42 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 17.7 p -108.89 177.65 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.6 t -136.52 152.93 30.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.922 HG11 HG23 ' A' ' 112' ' ' ILE . 24.3 t -117.71 139.36 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.49 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -158.74 172.4 18.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.446 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.08 152.51 34.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.5 HG11 ' HB2' ' A' ' 87' ' ' LEU . 20.6 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.541 ' O ' HD23 ' A' ' 87' ' ' LEU . 58.2 m-80 -75.44 131.27 40.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.564 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -139.22 166.04 25.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 9.7 p90 -155.02 144.87 21.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.49 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 10.2 tt0 -99.79 137.48 38.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.854 ' CD1' HD13 ' A' ' 115' ' ' ILE . 87.5 mt -129.62 111.29 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.444 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.5 mt -89.58 146.47 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.692 HG21 HG23 ' A' ' 63' ' ' ILE . 43.0 p -112.96 174.86 5.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.429 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.72 -18.01 27.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.545 ' HB2' HG23 ' A' ' 96' ' ' VAL . 15.5 m-20 -91.91 -5.3 53.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.7 mt-10 81.17 3.65 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.545 HG23 ' HB2' ' A' ' 94' ' ' ASP . 48.6 t -64.7 130.14 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.9 m-70 -102.19 136.83 41.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.636 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.48 ' CE2' HG12 ' A' ' 96' ' ' VAL . 61.6 m-85 -132.96 116.86 16.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -100.29 107.46 19.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.699 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -110.93 151.18 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.564 ' HG3' HD23 ' A' ' 87' ' ' LEU . 3.8 tt0 -109.73 128.92 55.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.401 ' HB1' ' HG2' ' A' ' 107' ' ' GLU . . . -95.07 145.92 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.21 -65.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.403 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 48.1 p -92.84 162.26 29.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.341 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.403 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.99 -13.91 21.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 -28.58 21.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.401 ' HG2' ' HB1' ' A' ' 102' ' ' ALA . 4.5 tt0 -68.44 -49.7 57.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.691 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -45.02 -44.78 10.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.266 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -70.65 -52.15 23.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.391 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.0 mt-10 -48.81 -53.24 20.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.665 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 9.5 m95 -46.77 -60.98 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.922 HG23 HG11 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -41.3 -64.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.521 ' N ' HG22 ' A' ' 112' ' ' ILE . 6.6 mtmt -54.16 -33.38 57.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -62.32 -57.75 10.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.854 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.6 mt -57.64 -42.64 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.797 ' HG2' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -58.14 -51.74 68.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.486 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -48.7 -43.98 37.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.434 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -73.13 -61.98 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.2 p -47.16 -32.2 4.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.342 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.416 HG22 ' H ' ' A' ' 18' ' ' ILE . 8.3 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.68 HD12 ' CG2' ' A' ' 40' ' ' ILE . 26.8 mm -99.63 141.0 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -113.79 -32.85 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HD3' ' CE2' ' A' ' 111' ' ' TRP . 8.2 tttp -162.71 141.37 8.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.646 ' HG2' HG23 ' A' ' 40' ' ' ILE . 60.5 mt-30 -133.24 163.04 30.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.53 -178.66 31.19 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.563 1.165 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 90.3 m -105.34 148.9 26.56 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.49 ' C ' HD22 ' A' ' 25' ' ' LEU . 19.4 mt -141.76 164.34 30.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.8 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -104.33 99.75 9.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -89.75 110.57 21.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 8.9 mttt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.786 HG22 HD11 ' A' ' 25' ' ' LEU . 24.1 t -83.73 140.04 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -156.86 149.27 23.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' O ' ' CA ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -79.49 137.86 37.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.71 ' CD2' HD11 ' A' ' 48' ' ' LEU . 9.0 m-85 -133.19 118.32 18.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.694 HD12 ' CE1' ' A' ' 51' ' ' TYR . 68.2 mt -114.19 131.57 65.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.502 HD11 HD13 ' A' ' 65' ' ' LEU . 23.5 tp -107.74 136.14 47.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.447 ' HA ' ' CD1' ' A' ' 19' ' ' ILE . 1.5 ptm180 -139.46 124.7 18.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -100.0 142.78 31.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.338 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.523 ' N ' ' C ' ' A' ' 45' ' ' PRO . 7.0 t0 57.77 75.93 0.51 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.523 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.01 169.66 73.97 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.007 0.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.81 96.45 9.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -144.81 162.09 37.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.922 HD12 HD12 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -130.75 110.69 11.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -105.56 136.37 45.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.601 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.519 ' CD1' ' HB2' ' A' ' 60' ' ' LEU . 28.2 p90 -127.97 120.02 26.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.694 ' CE1' HD12 ' A' ' 40' ' ' ILE . 6.0 m-85 -110.5 156.89 20.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 9.7 t70 -59.06 139.06 87.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.41 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -49.4 -34.95 17.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 152.49 148.03 4.75 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.408 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . . . 179.9 -173.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.774 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 82.6 mm-40 -136.03 -62.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -83.65 158.35 62.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.452 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.02 132.8 15.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.519 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 5.5 mt -57.22 -29.02 63.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -178.49 -174.86 45.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.07 151.52 47.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 0.733 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.922 HD12 HD12 ' A' ' 48' ' ' LEU . 10.4 mt -128.32 116.46 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.637 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 8.8 t60 -60.91 128.04 34.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.569 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.502 HD13 HD11 ' A' ' 41' ' ' LEU . 86.8 mt -111.96 -15.7 13.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.637 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.3 OUTLIER -44.73 -62.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.86 48.72 0.91 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 15.4 p -95.56 176.72 6.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.2 t -138.48 145.85 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.978 HG11 HG23 ' A' ' 112' ' ' ILE . 36.0 t -111.04 139.91 32.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.497 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -158.56 174.17 15.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.22 158.52 21.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.731 HG13 ' HA ' ' A' ' 88' ' ' PHE . 13.4 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -86.58 113.78 22.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.568 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -124.88 166.71 15.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.345 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.731 ' HA ' HG13 ' A' ' 73' ' ' VAL . 13.3 p90 -154.62 150.94 28.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.497 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 11.6 tt0 -99.96 139.81 35.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.549 ' CD1' HD13 ' A' ' 115' ' ' ILE . 98.8 mt -132.32 105.82 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.471 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.5 mt -83.95 146.4 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.525 HG21 HG23 ' A' ' 63' ' ' ILE . 73.4 p -111.26 175.05 5.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.35 -20.51 55.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.785 ' HB3' HG23 ' A' ' 96' ' ' VAL . 13.4 t70 -91.91 -1.5 57.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.6 mt-10 80.58 1.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.785 HG23 ' HB3' ' A' ' 94' ' ' ASP . 47.7 t -61.54 132.13 26.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 8.1 m-70 -105.62 146.07 30.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.558 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -140.91 133.71 28.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -109.15 109.41 20.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.687 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -113.01 132.38 55.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.477 ' HB3' HD23 ' A' ' 25' ' ' LEU . 0.9 OUTLIER -97.33 123.82 41.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.65 ' HB3' ' HB2' ' A' ' 108' ' ' ARG . . . -94.78 132.22 39.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.66 -61.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.7 p -106.83 167.88 8.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.457 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.23 21.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -77.85 -48.62 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.424 ' HG3' ' CD1' ' A' ' 111' ' ' TRP . 1.7 tp10 -58.17 -49.52 76.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.65 ' HB2' ' HB3' ' A' ' 102' ' ' ALA . 2.3 tmm_? -47.55 -42.68 24.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -73.8 -38.73 64.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.375 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 114' ' ' ALA . 10.4 mt-10 -63.76 -52.0 62.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.607 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 11.6 m95 -48.88 -60.74 2.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 107.96 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.978 HG23 HG11 ' A' ' 70' ' ' VAL . 1.2 mt -40.02 -61.78 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.442 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -57.38 -36.3 71.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -57.95 -54.72 43.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.549 HD13 ' CD1' ' A' ' 90' ' ' ILE . 1.9 mp -60.14 -43.08 92.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.751 ' HG2' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -57.9 -48.88 78.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -51.49 -45.23 62.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -72.27 -64.85 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.0 p -45.43 -34.26 3.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.033 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 4.8 mt -83.9 160.04 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.766 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -119.2 -40.11 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HZ1' ' HB3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -156.46 131.98 9.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.436 ' NE2' HD13 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -152.33 158.9 43.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.73 -115.96 0.55 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.438 ' O ' HD23 ' A' ' 24' ' ' LEU . 1.7 p -148.17 136.1 21.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.501 HD11 ' CD1' ' A' ' 111' ' ' TRP . 18.0 mt -136.58 162.34 33.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.869 HD11 HG22 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -104.31 99.53 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -85.7 128.22 34.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.869 HG22 HD11 ' A' ' 25' ' ' LEU . 42.6 t -61.21 145.77 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.35 144.72 22.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -86.29 102.36 13.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.828 ' CD2' HD11 ' A' ' 48' ' ' LEU . 12.2 m-85 -96.29 118.27 32.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.924 HD12 ' CE1' ' A' ' 51' ' ' TYR . 21.6 mt -111.04 128.25 67.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 18' ' ' ILE . 16.2 tp -108.32 137.19 46.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.87 130.26 21.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.766 ' HG2' HD12 ' A' ' 19' ' ' ILE . 1.4 pt-20 -100.32 141.01 33.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.511 ' N ' ' C ' ' A' ' 45' ' ' PRO . 4.8 m-20 58.42 76.76 0.44 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.511 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.05 170.16 72.61 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.984 0.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.84 96.08 7.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -144.66 163.38 34.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.955 HD12 HD12 ' A' ' 63' ' ' ILE . 1.3 tm? -129.54 111.67 12.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -102.47 139.25 38.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.562 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 21.6 p90 -127.31 120.07 27.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.924 ' CE1' HD12 ' A' ' 40' ' ' ILE . 17.5 m-85 -107.65 175.71 5.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.449 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 3.1 t70 -91.31 145.43 31.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -50.88 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.466 1.771 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.449 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -43.36 -42.92 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 148.19 144.46 3.98 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 111.029 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -167.76 169.2 11.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.83 -60.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.38 166.17 12.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 134.0 17.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.417 1.746 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.58 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 3.5 mt -45.34 -29.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.51 -156.79 24.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -148.52 159.23 44.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 0.752 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.955 HD12 HD12 ' A' ' 48' ' ' LEU . 42.7 mt -123.86 123.09 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.629 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 22.7 t60 -63.17 123.35 18.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.558 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 48' ' ' LEU . 80.9 mt -109.99 -14.85 14.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.629 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 9.7 ttt180 -37.54 -66.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -119.46 49.54 0.87 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.428 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 19.8 p -90.46 166.95 12.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.5 t -123.35 152.3 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.03 HG11 HG23 ' A' ' 112' ' ' ILE . 32.0 t -119.24 138.08 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -157.9 157.91 34.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.86 146.31 28.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.001 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.861 HG13 ' HA ' ' A' ' 88' ' ' PHE . 14.2 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -75.78 111.02 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.655 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -118.31 173.53 6.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.861 ' HA ' HG13 ' A' ' 73' ' ' VAL . 23.8 p90 -157.51 147.53 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.484 ' OE1' HD11 ' A' ' 91' ' ' ILE . 12.3 tt0 -100.06 138.67 36.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.818 ' CD1' HD13 ' A' ' 115' ' ' ILE . 98.2 mt -131.16 104.37 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.484 HD11 ' OE1' ' A' ' 89' ' ' GLU . 3.0 mt -81.16 141.31 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.624 HG21 HG23 ' A' ' 63' ' ' ILE . 72.6 p -106.97 174.67 5.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.403 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.25 -17.96 23.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.857 ' HB3' HG23 ' A' ' 96' ' ' VAL . 11.9 t70 -93.97 -1.53 54.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.496 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 79.28 3.08 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.857 HG23 ' HB3' ' A' ' 94' ' ' ASP . 40.2 t -63.94 127.85 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.496 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.7 m-70 -100.37 133.3 44.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.576 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -125.94 124.47 40.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 111.054 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -104.38 107.79 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.608 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -110.9 145.07 38.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.541 ' HB2' HD22 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -106.25 126.93 52.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.26 148.71 21.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -58.75 5.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.41 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 31.3 p -102.37 162.27 20.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.398 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.5 Cg_endo -75.01 -5.75 17.18 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.445 1.76 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -93.38 -30.48 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.42 ' OE1' ' CE ' ' A' ' 20' ' ' LYS . 3.4 tp10 -67.18 -56.12 11.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.884 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -38.5 -43.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -72.13 -49.04 39.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.361 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.513 ' HB3' ' HZ1' ' A' ' 20' ' ' LYS . 6.7 mt-10 -53.05 -57.3 10.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.651 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 1.5 m95 -42.65 -59.55 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 108.009 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.03 HG23 HG11 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -40.88 -64.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.497 ' N ' HG22 ' A' ' 112' ' ' ILE . 12.8 mttt -55.34 -33.19 63.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -61.53 -54.25 45.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.818 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.7 mt -61.98 -47.07 94.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.915 ' HG2' HG21 ' A' ' 70' ' ' VAL . 3.2 mt-30 -53.91 -49.32 68.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.438 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.6 OUTLIER -50.6 -49.14 57.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.438 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -68.25 -57.38 6.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 82.2 p -49.38 -34.04 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 19' ' ' ILE . 22.4 mt -95.49 168.33 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.548 ' N ' HG22 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -140.88 -44.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HG2' ' CZ2' ' A' ' 111' ' ' TRP . 36.0 tttt -137.74 149.45 46.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.554 ' HG2' HG23 ' A' ' 40' ' ' ILE . 40.5 mt-30 -153.07 160.09 42.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.248 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.68 -162.63 30.07 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.7 m -114.17 144.04 43.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.572 ' C ' HD22 ' A' ' 25' ' ' LEU . 56.8 mt -139.27 167.31 22.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.821 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -107.41 99.2 8.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -88.5 128.39 35.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.481 HG22 HD11 ' A' ' 25' ' ' LEU . 3.4 t -104.0 130.1 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -145.5 152.31 39.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -83.88 139.9 32.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.565 ' CD1' HD11 ' A' ' 48' ' ' LEU . 11.8 m-85 -132.08 127.32 35.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.807 HD12 ' CE1' ' A' ' 51' ' ' TYR . 62.0 mt -121.36 129.52 75.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 tp -108.18 135.0 50.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -134.56 128.8 33.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.477 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -104.24 138.79 40.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.517 ' N ' ' C ' ' A' ' 45' ' ' PRO . 2.0 t70 55.2 76.28 0.52 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.517 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.0 170.45 71.83 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.005 -0.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.87 96.33 7.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.698 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 11.4 m-85 -144.47 153.3 41.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.976 HD12 HD12 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -124.57 111.52 15.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.876 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 76.2 m80 -105.57 143.93 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.595 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.489 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 6.2 p90 -129.67 133.46 47.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.807 ' CE1' HD12 ' A' ' 40' ' ' ILE . 11.4 m-85 -119.64 161.17 21.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.447 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 14.3 t70 -71.92 137.84 82.38 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -48.07 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.447 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -48.51 -27.45 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.85 149.38 5.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . . . -179.01 -171.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -130.61 -67.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.41 158.94 54.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.2 22.68 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.454 1.765 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 2.2 mt -60.0 -16.17 28.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 162.56 -157.17 29.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.538 1.149 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.876 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -161.55 149.52 15.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.976 HD12 HD12 ' A' ' 48' ' ' LEU . 17.3 mt -113.09 116.87 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.698 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 3.5 t-160 -63.49 135.11 56.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.571 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.8 mt -122.25 8.65 9.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.464 ' HD3' ' CE1' ' A' ' 64' ' ' HIS . 23.1 ptt180 -46.53 -25.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 66' ' ' ARG . . . -169.17 37.16 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.4 p -72.26 169.19 16.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.8 t -121.13 147.28 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.943 HG11 HG23 ' A' ' 112' ' ' ILE . 25.6 t -117.61 139.17 45.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.02 167.27 30.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.429 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.54 149.75 28.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.772 HG13 ' HA ' ' A' ' 88' ' ' PHE . 35.7 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -82.15 111.16 18.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.635 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -130.48 176.17 8.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.772 ' HA ' HG13 ' A' ' 73' ' ' VAL . 16.5 p90 -161.21 146.82 14.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -99.83 128.78 45.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.599 ' CD1' HD13 ' A' ' 115' ' ' ILE . 87.1 mt -121.37 104.41 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.5 mt -81.05 142.86 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.485 HG21 HG23 ' A' ' 63' ' ' ILE . 82.2 p -105.07 177.81 4.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.29 -15.85 58.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.88 ' HB3' HG23 ' A' ' 96' ' ' VAL . 12.3 t0 -96.57 -1.38 47.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.583 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.3 mt-10 83.11 -2.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.88 HG23 ' HB3' ' A' ' 94' ' ' ASP . 46.7 t -59.97 131.37 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 7.4 m-70 -104.54 147.75 27.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.442 ' CE2' HG12 ' A' ' 96' ' ' VAL . 56.9 m-85 -143.06 123.37 13.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -102.13 107.9 19.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.9 OUTLIER -110.33 132.41 54.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.635 ' HG3' HD23 ' A' ' 87' ' ' LEU . 1.8 tt0 -97.08 135.8 38.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.557 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -103.67 154.48 19.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.18 -57.68 5.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.413 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 26.7 p -101.08 162.48 20.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.362 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -74.96 -6.32 17.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.5 -36.02 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.557 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 0.6 OUTLIER -61.79 -46.96 87.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.34 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.717 ' O ' HD12 ' A' ' 112' ' ' ILE . 6.4 tmm_? -50.13 -43.89 52.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.25 -51.25 32.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.0 mt-10 -50.97 -58.52 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.717 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 11.8 m95 -41.71 -58.63 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 107.998 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.943 HG23 HG11 ' A' ' 70' ' ' VAL . 1.6 mt -43.41 -67.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.491 ' N ' HG22 ' A' ' 112' ' ' ILE . 7.7 mtmt -54.5 -23.75 17.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -73.17 -58.65 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.599 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.0 mt -55.35 -38.86 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.671 ' HG2' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -61.21 -57.13 13.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.49 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -40.73 -42.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -76.05 -48.97 18.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 52.4 p -50.15 -38.83 41.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 116' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 23.7 mt -99.48 165.69 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.49 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -132.1 -43.56 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -146.52 149.55 33.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.497 ' HG2' HG23 ' A' ' 40' ' ' ILE . 32.5 mt-30 -149.81 160.48 43.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.47 -171.9 34.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 92.6 m -106.66 147.15 29.89 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.555 ' C ' HD22 ' A' ' 25' ' ' LEU . 60.4 mt -141.94 170.63 15.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.861 ' CD1' HG22 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -108.91 99.47 8.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 8.1 tttt -82.01 114.44 20.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.861 HG22 ' CD1' ' A' ' 25' ' ' LEU . 36.9 t -67.73 142.43 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -156.75 150.57 24.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.311 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 13.2 tttt -85.64 138.99 31.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.563 ' CD2' HD11 ' A' ' 48' ' ' LEU . 8.3 m-85 -131.83 118.7 20.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.833 HD12 ' CE1' ' A' ' 51' ' ' TYR . 81.6 mt -112.95 129.88 67.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.9 tp -107.73 137.58 45.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -140.39 126.11 19.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.486 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -104.22 140.86 37.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.53 ' N ' ' C ' ' A' ' 45' ' ' PRO . 2.1 t70 54.95 75.74 0.58 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.53 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.96 169.46 74.48 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.001 -0.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.48 ' HB1' ' HB2' ' A' ' 65' ' ' LEU . . . -98.1 97.8 9.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.426 ' N ' HD12 ' A' ' 65' ' ' LEU . 10.6 m-85 -147.77 147.86 30.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.991 ' CD1' HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -118.46 113.89 22.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -107.62 132.95 52.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.607 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.416 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 19.6 p90 -124.02 127.85 48.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.833 ' CE1' HD12 ' A' ' 40' ' ' ILE . 9.2 m-85 -114.93 169.59 8.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 10.6 t70 -75.73 141.87 72.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.4 ' HG3' HG12 ' A' ' 36' ' ' VAL . 18.5 Cg_endo -74.94 -46.59 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.782 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.407 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -47.64 -36.89 11.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.6 146.27 4.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -175.31 178.59 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.357 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -119.04 -59.56 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.72 158.95 34.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.523 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.03 133.53 16.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.561 1.821 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.74 -35.76 56.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -172.73 -170.01 35.98 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.483 1.114 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.74 164.68 29.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.357 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.991 HD12 ' CD1' ' A' ' 48' ' ' LEU . 37.5 mt -130.74 106.11 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.408 ' NE2' ' HB2' ' A' ' 66' ' ' ARG . 5.0 t-160 -54.81 130.97 42.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.606 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.48 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 23.3 mt -113.83 8.5 17.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.408 ' HB2' ' NE2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -53.48 -61.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.247 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.29 30.72 3.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 20.8 p -64.31 177.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.6 t -140.45 142.83 30.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.062 HG11 HG23 ' A' ' 112' ' ' ILE . 37.9 t -113.06 137.71 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 72' ' ' SER . 0.6 OUTLIER -149.93 174.6 12.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.373 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.432 ' N ' HG23 ' A' ' 71' ' ' THR . 0.1 OUTLIER -119.52 134.4 55.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.762 HG13 ' HA ' ' A' ' 88' ' ' PHE . 33.8 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.474 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 1.2 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -71.63 110.05 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.648 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -125.7 178.02 5.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.762 ' HA ' HG13 ' A' ' 73' ' ' VAL . 14.8 p90 -159.71 149.27 18.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -101.87 127.62 48.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 88.8 mt -119.7 108.88 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 2.7 mt -85.38 141.07 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.692 HG22 HG23 ' A' ' 63' ' ' ILE . 32.3 p -102.74 -173.57 2.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.41 -16.71 62.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 1.3 m-20 -95.2 -1.5 51.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.8 mt-10 83.22 -1.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.432 HG23 ' CB ' ' A' ' 94' ' ' ASP . 33.3 t -58.45 133.53 23.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 9.4 m-70 -107.98 141.13 40.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.64 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -136.51 133.66 36.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -111.56 107.56 16.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.498 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -110.34 134.06 52.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.496 ' HB3' HD23 ' A' ' 25' ' ' LEU . 1.2 tt0 -96.2 131.06 43.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.83 145.06 25.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.62 -55.83 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 1.8 p -104.21 164.52 15.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -74.98 -19.58 17.76 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.464 1.771 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -79.43 -41.4 27.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.0 -54.87 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.677 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.7 OUTLIER -41.28 -43.96 2.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -72.45 -42.36 65.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.2 mt-10 -59.93 -59.5 5.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.775 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 3.2 m95 -41.84 -58.45 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.062 HG23 HG11 ' A' ' 70' ' ' VAL . 2.3 mt -42.89 -67.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -54.67 -24.38 21.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -69.24 -60.77 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.3 -36.25 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.796 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.5 mt-30 -63.47 -52.03 63.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.49 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -46.86 -41.51 15.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -74.53 -62.13 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 98.6 p -48.07 -29.6 3.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 116' ' ' GLN . 17.1 mmt85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.43 HG22 ' H ' ' A' ' 18' ' ' ILE . 9.2 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 19' ' ' ILE . 34.9 mt -106.57 166.91 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.513 ' N ' HG22 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -135.64 -43.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -140.84 151.5 44.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.588 ' HG2' HG23 ' A' ' 40' ' ' ILE . 45.2 mt-30 -150.32 155.86 40.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.97 -168.7 34.55 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.438 1.086 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.2 p -119.79 137.15 54.14 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.567 HD11 ' CE2' ' A' ' 111' ' ' TRP . 70.0 mt -126.63 176.26 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.847 ' CD1' HG22 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -109.52 99.28 8.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 7.0 tttm -83.25 125.59 31.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.847 HG22 ' CD1' ' A' ' 25' ' ' LEU . 38.7 t -75.06 145.58 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -157.96 150.23 22.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -82.31 143.17 31.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.515 ' CD1' HD11 ' A' ' 48' ' ' LEU . 8.2 m-85 -141.04 118.86 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.75 ' O ' HD22 ' A' ' 48' ' ' LEU . 74.7 mt -116.24 131.76 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.412 HD21 ' O ' ' A' ' 114' ' ' ALA . 32.5 tp -107.96 137.9 45.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.422 ' NH1' ' ND1' ' A' ' 49' ' ' HIS . 16.3 mtt85 -138.73 124.25 19.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.239 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -102.89 136.27 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.521 ' N ' ' C ' ' A' ' 45' ' ' PRO . 13.4 t0 58.28 76.29 0.47 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.521 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.1 Cg_endo -75.03 170.48 71.73 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.978 0.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.578 ' HB1' ' HB2' ' A' ' 65' ' ' LEU . . . -98.11 95.96 7.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.497 ' N ' HD12 ' A' ' 65' ' ' LEU . 9.2 m-85 -145.69 144.16 30.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.933 HD12 HD12 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -116.81 112.51 21.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 77.6 m80 -105.88 138.04 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.595 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 24.7 p90 -129.13 123.5 32.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.728 ' CE1' HD12 ' A' ' 40' ' ' ILE . 27.2 m-85 -107.03 169.07 8.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.601 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 20.9 t70 -75.28 142.67 75.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -47.49 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.601 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -46.5 -32.02 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 136.36 149.83 5.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 179.91 -169.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -129.96 -57.36 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.1 p-10 -90.24 155.51 46.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 151.12 38.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.503 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 1.5 mt -72.03 -9.59 58.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 155.68 -174.48 33.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.581 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -139.4 146.86 40.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.933 HD12 HD12 ' A' ' 48' ' ' LEU . 9.4 mt -112.64 110.63 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 6.8 t-160 -54.65 135.46 46.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.574 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.578 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 37.4 mt -117.06 13.66 14.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -55.43 -63.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.29 39.41 1.9 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 31.4 p -74.22 174.8 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.3 t -135.35 148.33 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.362 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.893 HG11 HG23 ' A' ' 112' ' ' ILE . 25.4 t -115.33 140.1 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.493 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.2 t -158.85 175.54 13.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.431 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.53 160.53 20.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.501 HG13 ' CA ' ' A' ' 88' ' ' PHE . 20.2 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.45 ' C ' HD23 ' A' ' 87' ' ' LEU . 26.0 m120 -83.35 126.66 32.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.483 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -134.01 178.68 6.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 15.6 p90 -165.32 145.39 6.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.595 ' OE2' ' CZ ' ' A' ' 99' ' ' PHE . 16.4 tt0 -99.83 136.72 39.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.682 ' CD1' HD13 ' A' ' 115' ' ' ILE . 87.9 mt -127.84 110.65 22.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.405 HG12 ' ND1' ' A' ' 97' ' ' HIS . 2.8 mt -88.48 143.23 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.486 HG21 HG23 ' A' ' 63' ' ' ILE . 32.7 p -107.13 -179.06 3.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 110.358 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -14.86 61.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.748 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -95.94 -2.18 47.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.561 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.3 mt-10 80.1 2.26 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.748 HG23 ' HB3' ' A' ' 94' ' ' ASP . 42.1 t -64.76 132.11 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.561 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.6 m-70 -104.88 143.56 32.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.577 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -138.82 123.97 19.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.595 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 59.2 m-85 -100.43 107.65 19.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -112.78 131.58 55.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.532 ' HB3' HD23 ' A' ' 25' ' ' LEU . 4.9 tt0 -93.79 133.54 37.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.356 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.615 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -101.28 131.24 47.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.69 -66.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.4 p -101.67 166.75 11.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.44 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -8.85 20.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -43.46 14.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.615 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -60.28 -45.86 91.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.618 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -48.32 -42.57 31.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -73.99 -40.94 62.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 114' ' ' ALA . 12.0 mt-10 -60.99 -54.84 39.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.652 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 13.0 m95 -45.51 -61.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 108.001 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.893 HG23 HG11 ' A' ' 70' ' ' VAL . 2.2 mt -40.75 -65.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.467 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -53.39 -32.69 50.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -64.55 -53.81 42.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.682 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.8 mt -60.51 -44.53 96.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.671 ' HG2' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -57.61 -48.07 80.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -52.13 -46.1 65.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.45 -64.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.5 p -43.81 -36.98 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.498 HG21 ' CD ' ' A' ' 21' ' ' GLN . 16.9 mt -97.72 157.36 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.638 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -121.01 -40.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -152.81 137.69 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.498 ' CD ' HG21 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -159.44 158.2 31.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.85 -140.0 5.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 68.4 m -116.87 136.58 52.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.533 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 15.5 mt -138.97 152.6 47.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.781 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -97.39 99.79 11.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -83.77 113.89 21.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.761 HG22 HD11 ' A' ' 25' ' ' LEU . 34.9 t -57.2 136.02 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.72 151.64 31.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.611 ' HE2' HD11 ' A' ' 40' ' ' ILE . 7.4 tttt -86.72 131.0 34.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CD2' HD11 ' A' ' 48' ' ' LEU . 11.6 m-85 -128.53 118.92 23.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.955 HD12 ' CE1' ' A' ' 51' ' ' TYR . 20.5 mt -112.75 128.91 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.532 ' CD1' ' CD1' ' A' ' 65' ' ' LEU . 17.7 tp -108.47 138.7 44.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -142.11 126.68 17.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.638 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -100.23 140.45 34.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.502 ' N ' ' C ' ' A' ' 45' ' ' PRO . 14.9 t0 58.39 76.86 0.43 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.502 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.04 165.54 85.65 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.12 99.59 12.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -149.19 162.92 39.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.012 ' CD1' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -130.75 110.47 11.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -102.48 125.89 49.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.475 ' HB3' ' CD2' ' A' ' 39' ' ' PHE . 25.3 p90 -120.58 128.12 52.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.955 ' CE1' HD12 ' A' ' 40' ' ' ILE . 7.1 m-85 -115.04 169.67 8.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.675 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 22.4 t70 -80.43 143.33 55.41 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -41.85 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.675 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -52.67 -34.32 51.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.462 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 145.01 152.03 5.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 177.56 165.22 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -110.65 -57.3 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -90.92 156.26 44.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.553 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.02 128.56 11.56 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.466 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 3.7 mt -42.21 -30.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.14 -166.85 40.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -134.88 150.22 50.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.012 HD12 ' CD1' ' A' ' 48' ' ' LEU . 89.2 mt -118.53 108.3 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -51.94 124.81 13.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.62 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.539 HD22 HG23 ' A' ' 115' ' ' ILE . 99.2 mt -110.71 -23.36 11.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.23 -61.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -117.5 52.78 0.67 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 21.1 p -98.46 174.65 6.35 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -137.7 141.8 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.07 HG11 HG23 ' A' ' 112' ' ' ILE . 39.7 t -108.63 137.18 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -158.48 164.01 36.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.92 137.41 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.017 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 87' ' ' LEU . 24.9 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -82.36 110.1 17.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.557 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -119.72 163.42 17.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 25.1 p90 -149.54 147.77 28.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.517 ' OE2' ' CZ ' ' A' ' 99' ' ' PHE . 20.5 tt0 -103.15 134.12 47.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.664 ' CD1' HD13 ' A' ' 115' ' ' ILE . 74.8 mt -126.23 112.32 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.4 mt -89.73 144.4 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.662 HG21 HG23 ' A' ' 63' ' ' ILE . 29.8 p -105.98 -178.19 3.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.39 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.57 -9.75 51.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.826 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -101.74 -1.65 31.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.607 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.9 mt-10 81.55 1.91 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.826 HG23 ' HB3' ' A' ' 94' ' ' ASP . 37.3 t -62.34 132.06 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 10.8 m-70 -104.91 145.88 29.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.623 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -141.07 129.54 22.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.517 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 78.2 m-85 -106.98 106.52 17.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.7 OUTLIER -113.28 130.21 56.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.557 ' HG3' HD23 ' A' ' 87' ' ' LEU . 3.1 tt0 -94.04 131.53 39.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.663 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -100.06 123.84 44.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.9 -63.83 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 3.0 p -95.25 164.1 20.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.1 Cg_endo -75.02 -15.06 20.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -84.84 -37.51 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.663 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -60.1 -41.37 92.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.248 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.854 ' O ' HD12 ' A' ' 112' ' ' ILE . 6.9 tmm_? -56.64 -42.99 79.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -72.78 -41.01 65.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.5 mt-10 -60.84 -55.07 37.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.673 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 10.3 m95 -47.23 -59.78 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.07 HG23 HG11 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -41.9 -63.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.459 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -56.08 -31.71 63.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -62.87 -52.22 63.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.664 HD13 ' CD1' ' A' ' 90' ' ' ILE . 2.5 mp -62.39 -46.41 96.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.767 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.2 mt-30 -54.89 -49.72 70.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.444 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.4 OUTLIER -49.38 -48.55 46.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -70.6 -63.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 83.5 p -45.19 -32.48 1.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.547 HG22 ' H ' ' A' ' 18' ' ' ILE . 6.5 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.547 ' H ' HG22 ' A' ' 17' ' ' VAL . 23.0 mm -97.59 155.47 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.476 HG13 HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -124.71 -42.34 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.419 ' NZ ' ' OE1' ' A' ' 107' ' ' GLU . 10.6 tttt -151.13 142.59 23.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.437 ' NE2' HG21 ' A' ' 18' ' ' ILE . 35.5 mt-30 -142.35 141.43 32.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.086 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.42 -173.33 44.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.9 p -107.92 129.97 55.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 24' ' ' LEU . 10.4 mt -123.12 157.04 33.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.837 HD11 HG22 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -100.23 100.91 11.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.49 ' HG3' HD11 ' A' ' 100' ' ' LEU . 2.1 ttmt -88.15 116.48 26.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.837 HG22 HD11 ' A' ' 25' ' ' LEU . 33.5 t -63.07 138.52 22.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -148.41 138.69 22.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -80.65 124.04 28.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.644 ' CD2' HD11 ' A' ' 48' ' ' LEU . 6.9 m-85 -117.0 116.5 27.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.823 HD12 ' CE1' ' A' ' 51' ' ' TYR . 84.0 mt -108.53 127.75 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.476 HD23 HG13 ' A' ' 19' ' ' ILE . 19.1 tp -107.96 139.61 42.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' CA ' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -139.25 130.51 26.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' HG2' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -103.25 138.9 39.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.264 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.474 ' N ' ' C ' ' A' ' 45' ' ' PRO . 6.1 t70 54.96 77.99 0.41 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.474 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.99 172.07 64.9 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.057 -0.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.55 95.6 6.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.511 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 8.0 m-85 -142.24 168.39 19.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.058 HD12 HD12 ' A' ' 63' ' ' ILE . 1.3 tm? -133.02 110.26 10.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.458 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 34.7 m80 -106.6 116.03 31.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.602 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 31.3 p90 -106.16 119.97 40.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.823 ' CE1' HD12 ' A' ' 40' ' ' ILE . 13.1 m-85 -109.55 153.84 23.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.495 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -66.83 130.27 93.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -5.1 16.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 111.056 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.495 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -96.52 -4.09 42.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.578 ' O ' ' HB3' ' A' ' 56' ' ' ALA . . . 139.46 -124.19 2.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . 76.83 -58.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.789 . . . . 0.0 109.355 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 9.4 tt0 84.39 -55.84 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -75.66 152.76 85.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.474 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.03 115.1 4.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 2.9 mt -45.21 -34.18 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -172.15 -155.07 10.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -157.19 156.9 33.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.058 HD12 HD12 ' A' ' 48' ' ' LEU . 23.1 mt -128.43 108.23 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.511 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 5.0 t-160 -53.02 133.76 38.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.5 mt -118.95 9.46 11.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -65.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -120.8 33.53 4.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.8 p -69.1 175.13 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.0 t -139.71 146.63 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.93 HG11 HG23 ' A' ' 112' ' ' ILE . 33.9 t -113.19 138.74 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.401 HG22 ' HB3' ' A' ' 89' ' ' GLU . 0.4 OUTLIER -157.45 159.78 37.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.33 162.78 12.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.632 HG21 ' HB2' ' A' ' 87' ' ' LEU . 33.3 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 53.04 56.0 8.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' A' ' 101' ' ' GLN . 17.0 mt -107.45 170.96 7.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.713 ' CE1' HD23 ' A' ' 100' ' ' LEU . 7.3 p90 -169.9 145.42 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 90' ' ' ILE . 2.6 tt0 -99.61 140.95 33.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.805 HD13 HD13 ' A' ' 115' ' ' ILE . 6.2 mt -129.31 104.02 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.2 mt -82.84 135.21 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.675 HG21 HG23 ' A' ' 63' ' ' ILE . 73.4 p -98.51 -169.62 1.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.05 -20.62 60.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.671 ' HB3' HG23 ' A' ' 96' ' ' VAL . 1.1 m-20 -92.56 1.24 57.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.59 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.9 mt-10 80.65 0.05 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.671 HG23 ' HB3' ' A' ' 94' ' ' ASP . 40.9 t -60.14 132.28 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 1.9 m-70 -106.34 139.83 40.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.639 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -133.04 121.12 22.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.408 ' C ' HD22 ' A' ' 100' ' ' LEU . 5.6 m-85 -102.09 106.84 17.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.798 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -107.18 170.14 8.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.658 ' HA ' HD23 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -123.8 124.07 41.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.72 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -93.44 120.76 34.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.67 -57.64 3.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.41 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 71.2 p -101.33 162.81 19.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.407 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -74.96 -14.68 21.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.79 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.77 -33.16 21.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.72 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 1.4 tp10 -61.42 -50.28 73.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.878 ' O ' HD12 ' A' ' 112' ' ' ILE . 4.2 ttm180 -48.32 -45.23 34.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 m -71.19 -44.64 65.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.427 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 114' ' ' ALA . 7.9 mt-10 -58.56 -59.73 4.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.673 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 2.8 m95 -43.89 -61.01 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 107.981 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.93 HG23 HG11 ' A' ' 70' ' ' VAL . 1.4 mt -40.29 -66.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.497 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -54.38 -32.68 57.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -62.36 -55.01 32.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.805 HD13 HD13 ' A' ' 90' ' ' ILE . 3.1 mt -60.41 -48.75 87.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.726 ' HG2' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -51.62 -49.27 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.436 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -52.03 -47.82 64.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.436 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -66.75 -56.84 8.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.6 p -54.42 -28.73 45.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' GLN . 38.4 mmt180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.444 HG21 ' OE1' ' A' ' 21' ' ' GLN . 24.3 mt -99.44 160.52 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.532 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -124.9 -40.87 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HE3' ' CD1' ' A' ' 111' ' ' TRP . 9.2 tttm -156.44 130.84 8.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' OE1' HG21 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -148.6 159.83 43.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.44 -160.71 34.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 37' ' ' ARG . 18.6 p -95.53 148.49 22.45 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 24' ' ' LEU . 12.5 mt -151.41 155.25 38.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.8 HD11 HG22 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -98.24 99.28 10.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -90.26 116.75 28.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mttt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.8 HG22 HD11 ' A' ' 25' ' ' LEU . 39.6 t -59.5 140.9 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 39.6 mtt180 -157.79 167.39 30.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 2.3 tttp -99.08 143.41 29.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CD2' HD11 ' A' ' 48' ' ' LEU . 13.0 m-85 -136.65 114.12 10.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.831 HD12 ' CE1' ' A' ' 51' ' ' TYR . 28.0 mt -107.76 129.63 61.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.414 HD21 ' O ' ' A' ' 114' ' ' ALA . 20.8 tp -109.14 137.92 46.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.52 ' CZ ' ' ND1' ' A' ' 49' ' ' HIS . 12.4 ptp180 -141.79 125.42 16.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.532 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -100.32 143.52 30.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.526 ' N ' ' C ' ' A' ' 45' ' ' PRO . 5.4 t0 52.08 76.11 0.57 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.526 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.94 170.05 72.85 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.049 -0.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.38 98.82 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -145.54 157.24 44.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.008 HD12 HD12 ' A' ' 63' ' ' ILE . 1.4 tm? -127.07 111.32 13.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.52 ' ND1' ' CZ ' ' A' ' 42' ' ' ARG . 76.3 m80 -107.24 136.41 47.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.584 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 53.1 p90 -126.13 121.68 33.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.831 ' CE1' HD12 ' A' ' 40' ' ' ILE . 2.6 m-85 -117.27 160.72 20.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.462 ' HB3' ' HB2' ' A' ' 56' ' ' ALA . 2.5 t70 -58.91 141.84 85.39 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.26 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.556 1.819 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.445 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -43.06 -37.35 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 150.27 141.38 3.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.462 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . . . -168.26 -171.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -140.27 -63.65 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -78.7 152.47 77.78 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 131.57 14.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 5.2 mt -63.25 -27.85 69.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -168.45 -159.16 13.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -167.2 128.74 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.008 HD12 HD12 ' A' ' 48' ' ' LEU . 5.6 mt -104.43 123.23 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.519 ' CG ' ' HG2' ' A' ' 66' ' ' ARG . 5.9 t-160 -72.61 132.99 44.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 mt -120.19 23.79 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.519 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 16.3 ptt180 -65.31 -24.3 67.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.45 31.7 0.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.7 p -67.76 167.16 13.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 t -120.22 150.4 22.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.01 HG11 HG23 ' A' ' 112' ' ' ILE . 25.3 t -117.03 138.48 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -157.61 168.23 27.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.45 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.46 ' N ' HG23 ' A' ' 71' ' ' THR . 0.3 OUTLIER -111.1 147.78 34.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 87' ' ' LEU . 28.7 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -81.05 119.09 23.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.627 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -127.25 162.93 25.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 37.1 p90 -152.42 143.26 22.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.483 ' OE1' HD11 ' A' ' 91' ' ' ILE . 3.9 tt0 -99.91 138.75 36.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.795 HD13 HD13 ' A' ' 115' ' ' ILE . 76.8 mt -129.63 105.3 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.483 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.7 mt -82.71 144.77 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.0 p -109.13 178.14 4.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.443 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.97 -14.71 50.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.874 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -95.08 -5.12 45.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 6.0 mt-10 83.35 -1.44 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.874 HG23 ' HB3' ' A' ' 94' ' ' ASP . 42.7 t -61.08 132.62 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 7.5 m-70 -104.72 142.69 34.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.581 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -137.62 120.41 16.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -100.69 109.18 21.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.646 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -113.9 133.53 55.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.533 ' HG3' HD23 ' A' ' 87' ' ' LEU . 3.5 tt0 -96.46 129.07 43.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.745 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -98.91 125.24 44.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -39.73 -64.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.7 p -95.67 164.54 18.61 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.402 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -11.74 21.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.552 1.817 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -88.32 -30.04 19.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.745 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 1.3 tt0 -67.44 -39.34 85.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.787 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.7 OUTLIER -59.05 -45.08 91.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -68.84 -50.6 48.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.7 mt-10 -51.33 -55.93 15.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.719 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 9.3 m95 -44.01 -61.0 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.01 HG23 HG11 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -40.69 -67.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.523 ' N ' HG22 ' A' ' 112' ' ' ILE . 25.0 mtmt -52.25 -32.51 37.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -62.06 -55.05 33.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.795 HD13 HD13 ' A' ' 90' ' ' ILE . 2.5 mt -61.24 -47.47 93.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.766 ' HG2' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -54.01 -49.21 69.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.453 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -50.9 -47.65 60.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.488 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.02 -57.68 4.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 56.7 p -49.58 -30.47 8.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 116' ' ' GLN . 54.2 mmt-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 7.6 mt -87.84 165.21 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.508 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -136.03 -43.04 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -137.31 147.85 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.492 ' HG2' HG23 ' A' ' 40' ' ' ILE . 32.6 mt-30 -153.96 147.35 24.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.18 -167.69 39.47 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.6 p -112.44 140.24 47.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.649 ' C ' HD22 ' A' ' 25' ' ' LEU . 96.2 mt -136.59 173.95 11.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.771 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -110.29 99.38 8.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.535 ' HE2' ' CD1' ' A' ' 98' ' ' TYR . 25.6 tttt -86.53 119.67 27.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.711 HG22 ' CD1' ' A' ' 25' ' ' LEU . 8.7 t -110.47 136.27 46.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -153.32 155.29 36.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.415 ' HE2' HD11 ' A' ' 40' ' ' ILE . 5.6 tttm -85.18 147.87 26.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.543 ' HD1' HD21 ' A' ' 48' ' ' LEU . 12.2 m-85 -140.7 113.83 8.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.79 HD12 ' CE1' ' A' ' 51' ' ' TYR . 80.6 mt -108.02 135.04 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.8 tp -107.91 143.53 36.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.8 121.2 9.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.462 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -99.88 146.58 26.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.499 ' N ' ' C ' ' A' ' 45' ' ' PRO . 19.7 t0 46.39 77.41 0.46 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.499 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.5 Cg_endo -74.97 166.96 81.86 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.003 0.007 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.78 104.32 16.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.49 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 8.1 m-85 -148.51 168.52 22.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.831 HD12 HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -140.7 110.72 6.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.814 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 57.4 m80 -106.72 148.73 28.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.575 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.405 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 15.5 p90 -135.6 131.43 35.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.79 ' CE1' HD12 ' A' ' 40' ' ' ILE . 18.2 m-85 -117.14 159.94 21.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.509 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 7.4 t70 -65.44 138.37 96.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.407 ' HG3' HG12 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -75.0 -43.17 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.509 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -51.38 -38.16 51.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.405 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . 149.66 138.05 2.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.407 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . . . -171.45 176.93 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -122.02 -58.92 1.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.01 152.25 48.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.494 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 131.77 14.65 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.762 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.405 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 mt -52.54 -30.04 28.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 179.29 -154.46 13.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.814 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -165.25 151.91 10.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 0.777 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.831 HD12 HD12 ' A' ' 48' ' ' LEU . 20.5 mt -113.46 123.96 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.49 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 4.5 t-160 -68.97 133.96 48.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.609 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 mt -121.66 14.65 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.454 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 6.1 ptt180 -55.24 -29.32 57.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 66' ' ' ARG . . . -158.87 26.51 0.38 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.0 p -66.77 170.05 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.0 t -124.72 155.89 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.955 HG11 HG23 ' A' ' 112' ' ' ILE . 23.8 t -120.39 139.54 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.504 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -158.61 175.01 14.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.41 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.66 157.68 20.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.788 HG13 ' CA ' ' A' ' 88' ' ' PHE . 30.1 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -73.98 112.23 9.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.811 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -125.66 178.38 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.788 ' CA ' HG13 ' A' ' 73' ' ' VAL . 10.0 p90 -161.52 155.09 21.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.504 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 8.4 tt0 -105.49 134.65 48.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.594 ' CD1' HD13 ' A' ' 115' ' ' ILE . 91.3 mt -127.05 105.25 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.2 mt -81.63 141.76 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.478 HG21 HG23 ' A' ' 63' ' ' ILE . 50.6 p -103.39 -170.33 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.36 -22.76 61.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.876 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -90.95 -1.0 57.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.54 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.8 mt-10 83.02 0.78 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.876 HG23 ' HB3' ' A' ' 94' ' ' ASP . 47.6 t -58.68 133.56 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 11.2 m-70 -107.02 136.89 46.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.617 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.535 ' CD1' ' HE2' ' A' ' 26' ' ' LYS . 41.9 m-85 -131.96 135.71 46.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.405 ' C ' HD13 ' A' ' 100' ' ' LEU . 3.1 m-85 -111.84 107.05 15.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -111.38 128.49 55.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.811 ' HG3' HD23 ' A' ' 87' ' ' LEU . 7.6 tt0 -93.71 138.22 32.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -104.5 163.82 12.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.76 -59.99 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 65.3 p -101.87 162.07 21.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.394 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.99 -13.1 21.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.771 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -87.72 -28.83 21.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ARG . 2.0 tt0 -69.64 -55.95 8.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.662 ' O ' HD12 ' A' ' 112' ' ' ILE . 2.8 tmm_? -38.61 -44.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.432 HG22 ' HE3' ' A' ' 113' ' ' LYS . 1.2 m -68.59 -48.08 65.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 114' ' ' ALA . 3.6 mt-10 -52.66 -54.16 37.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.612 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 14.9 m95 -46.0 -56.45 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 107.986 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.955 HG23 HG11 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -44.31 -62.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.45 ' N ' HG22 ' A' ' 112' ' ' ILE . 10.7 mttt -57.43 -28.64 63.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -68.06 -54.66 16.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.594 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.5 mt -59.43 -42.16 86.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.705 ' HG2' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -58.0 -52.52 65.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.497 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -45.03 -43.16 9.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -75.49 -60.83 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.6 p -47.0 -29.53 2.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 54.7 mmt-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.652 HG22 ' H ' ' A' ' 18' ' ' ILE . 9.0 p . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.652 ' H ' HG22 ' A' ' 17' ' ' VAL . 25.0 mt -100.57 158.23 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.441 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -122.74 -41.45 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HD3' ' CE2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -157.34 128.35 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.604 ' NE2' HG21 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -146.63 156.85 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . 173.16 -149.06 10.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.3 m -108.08 143.69 36.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 100' ' ' LEU . 13.3 mt -144.45 159.61 42.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.784 HD11 HG22 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -102.14 98.82 8.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -91.66 126.74 36.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.784 HG22 HD11 ' A' ' 25' ' ' LEU . 42.5 t -56.99 141.57 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -154.75 145.03 21.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 11.6 tttt -80.49 135.15 36.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.754 ' CD2' HD11 ' A' ' 48' ' ' LEU . 14.5 m-85 -130.62 120.53 24.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.905 HD12 ' CE1' ' A' ' 51' ' ' TYR . 44.4 mt -111.45 128.69 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 tp -109.73 133.53 53.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.509 ' CZ ' ' ND1' ' A' ' 49' ' ' HIS . 8.4 ptp180 -138.87 127.45 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.483 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -101.26 138.64 38.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.267 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.516 ' N ' ' C ' ' A' ' 45' ' ' PRO . 7.8 t0 57.79 76.46 0.47 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.516 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.03 166.74 82.47 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.973 0.013 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.09 96.18 8.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.436 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 6.3 m-85 -146.23 151.22 37.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.028 HD12 HD12 ' A' ' 63' ' ' ILE . 1.5 tm? -117.25 111.28 19.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.509 ' ND1' ' CZ ' ' A' ' 42' ' ' ARG . 63.6 m80 -107.58 125.08 50.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.581 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.593 ' CE1' ' HB2' ' A' ' 60' ' ' LEU . 34.9 p90 -119.81 128.06 53.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.905 ' CE1' HD12 ' A' ' 40' ' ' ILE . 16.1 m-85 -109.77 156.74 19.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.505 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 5.3 t70 -69.03 141.88 92.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -50.31 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.505 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -40.76 -33.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.664 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 143.1 158.84 7.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 164.97 170.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -115.73 -61.45 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.2 154.76 66.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.99 144.32 30.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.593 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -55.8 -42.06 75.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -175.67 -153.88 10.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -148.77 134.31 18.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.028 HD12 HD12 ' A' ' 48' ' ' LEU . 10.1 mt -100.69 126.0 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.58 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 8.7 t60 -66.89 119.42 11.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.615 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.804 HD11 ' HB2' ' A' ' 48' ' ' LEU . 97.5 mt -112.61 -14.12 13.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.58 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -38.56 -68.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -118.13 43.77 1.55 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 19.6 p -81.79 -174.09 4.82 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -139.79 146.48 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.906 HG11 HG23 ' A' ' 112' ' ' ILE . 31.0 t -113.72 140.07 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.49 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -157.82 170.39 22.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.16 155.77 24.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.653 HG13 ' HA ' ' A' ' 88' ' ' PHE . 22.7 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -84.27 118.33 24.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.663 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -131.83 178.51 6.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.092 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.653 ' HA ' HG13 ' A' ' 73' ' ' VAL . 5.6 p90 -164.09 150.8 11.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.49 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 29.4 tt0 -101.68 142.83 32.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.712 ' CD1' HD13 ' A' ' 115' ' ' ILE . 62.1 mt -135.2 107.69 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 68' ' ' CYS . 2.3 mt -86.95 143.52 11.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 70.0 p -108.18 174.22 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.32 -18.32 36.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.851 ' HB3' HG23 ' A' ' 96' ' ' VAL . 16.5 t70 -93.05 -2.61 55.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.9 mt-10 80.54 4.15 1.74 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.851 HG23 ' HB3' ' A' ' 94' ' ' ASP . 42.0 t -64.43 131.55 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 9.4 m-70 -104.23 145.4 30.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.443 ' HB3' HD21 ' A' ' 100' ' ' LEU . 62.3 m-85 -137.12 140.55 41.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -116.69 108.31 15.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.722 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -117.39 127.7 54.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.663 ' HG3' HD23 ' A' ' 87' ' ' LEU . 5.5 tt0 -93.38 125.29 37.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -89.34 140.44 29.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.82 -63.84 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.413 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 1.0 OUTLIER -93.18 165.47 18.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.387 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -75.04 -16.65 20.0 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.788 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -82.21 -40.96 20.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.5 -44.25 93.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.579 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -49.26 -47.42 46.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.409 ' N ' ' HD2' ' A' ' 108' ' ' ARG . 1.0 OUTLIER -75.29 -51.04 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.424 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 114' ' ' ALA . 3.3 mt-10 -49.11 -54.58 15.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.708 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 0.5 OUTLIER -43.73 -61.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.906 HG23 HG11 ' A' ' 70' ' ' VAL . 1.3 mt -41.65 -65.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.485 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.9 OUTLIER -53.11 -30.9 39.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -65.04 -51.49 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.712 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.2 mt -62.36 -48.32 88.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.684 ' HG2' HG21 ' A' ' 70' ' ' VAL . 3.9 mt-30 -53.17 -49.91 65.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.448 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.4 OUTLIER -47.9 -47.72 31.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.483 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.13 -59.93 2.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 64.6 p -44.79 -44.12 9.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.952 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.557 HG22 ' H ' ' A' ' 18' ' ' ILE . 8.1 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.557 ' H ' HG22 ' A' ' 17' ' ' VAL . 3.8 mt -113.39 171.09 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.534 ' H ' HG22 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -143.9 -44.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.541 ' HD2' ' CE3' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -147.77 130.92 16.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.656 ' HG2' HG23 ' A' ' 40' ' ' ILE . 31.8 mt-30 -131.66 137.14 48.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.66 -149.65 7.78 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.408 ' O ' HD23 ' A' ' 24' ' ' LEU . 26.2 p -130.71 149.0 52.56 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.536 HD11 ' CD1' ' A' ' 111' ' ' TRP . 33.6 mt -146.14 161.83 39.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.821 HD11 HG22 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -103.87 102.52 12.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.501 ' HE3' ' CE1' ' A' ' 98' ' ' TYR . 5.8 tttt -85.1 111.14 19.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.821 HG22 HD11 ' A' ' 25' ' ' LEU . 39.0 t -60.78 139.85 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -151.58 140.53 21.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -81.3 97.0 7.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.533 ' CD2' HD11 ' A' ' 48' ' ' LEU . 10.3 m-85 -87.62 118.42 27.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.937 HD12 ' CE1' ' A' ' 51' ' ' TYR . 63.8 mt -111.77 129.17 67.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.449 HD23 HG13 ' A' ' 19' ' ' ILE . 15.4 tp -108.31 134.61 50.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.438 ' CA ' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -137.0 127.91 27.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -104.07 138.92 39.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.501 ' N ' ' C ' ' A' ' 45' ' ' PRO . 1.3 m-20 58.17 76.99 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.501 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.98 170.6 71.39 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.036 -0.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.51 101.4 13.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.463 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 8.7 m-85 -147.99 164.28 34.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.107 HD12 HD12 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -139.77 111.16 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.761 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 53.8 m80 -106.46 148.41 28.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.61 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.55 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 21.6 p90 -132.07 120.72 22.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.937 ' CE1' HD12 ' A' ' 40' ' ' ILE . 14.4 m-85 -107.95 168.2 9.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.662 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 9.5 t70 -79.87 137.24 54.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.594 ' HG3' HG12 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -74.97 -35.52 3.12 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.662 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -52.02 -37.25 52.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.91 -99.41 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 61.82 -167.89 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -151.49 -57.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.75 154.04 73.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.99 131.49 14.35 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.55 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 2.0 mt -57.17 -29.64 63.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 176.12 -168.21 40.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.761 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -151.74 153.55 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.107 HD12 HD12 ' A' ' 48' ' ' LEU . 18.3 mt -115.23 118.96 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.499 ' CG ' ' HG2' ' A' ' 66' ' ' ARG . 5.1 t-160 -66.76 128.86 37.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.628 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 mt -117.04 15.38 15.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.499 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 3.7 ptt180 -53.23 -24.28 10.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -166.78 30.03 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.9 p -67.76 171.39 6.54 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.1 t -127.44 153.16 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.906 HG11 HG23 ' A' ' 112' ' ' ILE . 23.3 t -118.9 138.8 48.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.505 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -158.19 172.91 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.443 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.19 163.3 13.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.036 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.473 HG13 ' HA ' ' A' ' 88' ' ' PHE . 12.3 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.603 ' O ' HD12 ' A' ' 87' ' ' LEU . 62.5 m-20 -154.61 -77.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.721 HD23 ' CB ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER 62.33 -177.7 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 20.8 p90 -165.36 153.43 11.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.505 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 26.5 tt0 -99.73 145.08 28.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 75.3 mt -141.36 103.81 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -81.99 140.83 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.451 HG21 HG23 ' A' ' 63' ' ' ILE . 39.3 p -101.34 -173.08 2.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.11 -15.86 62.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.51 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -96.79 0.26 49.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.547 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 7.0 mt-10 81.71 -1.13 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.51 HG23 ' HB3' ' A' ' 94' ' ' ASP . 21.9 t -58.63 135.4 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 12.0 m-70 -108.08 141.9 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.501 ' CE1' ' HE3' ' A' ' 26' ' ' LYS . 57.9 m-85 -138.49 131.67 30.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.446 ' HD2' HG11 ' A' ' 73' ' ' VAL . 77.1 m-85 -110.92 106.2 15.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.596 HD22 ' N ' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -103.22 137.77 40.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.721 ' CB ' HD23 ' A' ' 87' ' ' LEU . 2.1 tt0 -92.48 127.1 37.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.95 133.06 43.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.0 -39.89 63.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.3 p -131.07 166.38 28.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.83 16.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -37.83 70.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -68.8 -43.84 74.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.922 ' O ' HD12 ' A' ' 112' ' ' ILE . 5.1 ttp180 -48.27 -47.45 36.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.89 -44.27 66.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.0 mt-10 -57.41 -60.42 3.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.71 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 1.5 m95 -42.23 -59.34 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 107.994 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.922 HD12 ' O ' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -43.36 -66.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.522 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -54.1 -24.66 18.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -72.75 -57.74 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.431 HD12 ' O ' ' A' ' 111' ' ' TRP . 2.1 mp -57.84 -39.1 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.735 ' HG2' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -61.21 -51.45 68.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.491 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -47.78 -42.81 26.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -74.39 -58.19 3.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.1 p -50.23 -29.62 9.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 116' ' ' GLN . 14.4 mmt85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.522 HG22 ' N ' ' A' ' 18' ' ' ILE . 14.7 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.575 ' C ' HD13 ' A' ' 19' ' ' ILE . 39.4 mt -107.54 165.45 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.967 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -143.9 -45.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HG2' ' CD2' ' A' ' 111' ' ' TRP . 4.3 tptt -123.62 146.72 47.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.547 ' HG2' HG23 ' A' ' 40' ' ' ILE . 30.7 mt-30 -156.78 143.76 18.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.19 -171.92 36.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.7 p -103.63 144.73 31.06 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 20.9 mt -139.48 159.76 41.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.762 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -102.32 99.22 9.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -88.99 124.41 34.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.738 HG22 HD11 ' A' ' 25' ' ' LEU . 17.7 t -83.73 140.58 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.1 154.41 30.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 50' ' ' TYR . 7.5 tttt -84.76 143.48 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.097 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.624 ' CD2' HD11 ' A' ' 48' ' ' LEU . 8.3 m-85 -139.97 113.25 8.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.758 HD12 ' HE1' ' A' ' 51' ' ' TYR . 76.0 mt -110.96 137.05 45.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.9 tp -108.95 142.16 40.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 45' ' ' PRO . 22.3 mtp180 -138.84 123.08 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.967 ' HG2' HD12 ' A' ' 19' ' ' ILE . 2.2 pt-20 -100.1 136.27 40.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.467 ' N ' ' C ' ' A' ' 45' ' ' PRO . 34.4 t0 55.4 78.42 0.38 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.467 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.01 172.18 64.33 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.989 -2.505 . . . . 0.0 110.993 0.037 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.6 95.77 7.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.409 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 5.8 m-85 -140.91 157.39 45.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.03 HD12 HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -131.88 110.64 10.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -103.75 154.4 19.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.586 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.593 ' CE1' ' C ' ' A' ' 61' ' ' GLY . 1.5 p90 -145.95 122.72 11.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.758 ' HE1' HD12 ' A' ' 40' ' ' ILE . 4.4 m-85 -110.53 165.2 11.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 8.9 t0 -68.61 139.52 91.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -49.81 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.425 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -41.67 -44.79 3.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.8 135.58 2.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -165.7 -148.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.38 -46.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -97.4 149.75 36.05 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -75.0 129.21 12.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mt -48.97 -27.5 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.593 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . 173.19 -170.94 44.09 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.57 158.47 43.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.794 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.03 HD12 HD12 ' A' ' 48' ' ' LEU . 17.9 mt -124.46 110.57 25.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 7.5 t-160 -59.26 129.57 42.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.644 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.0 mt -109.48 22.08 16.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.567 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -72.23 82.92 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.2 28.85 52.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.6 p -69.4 173.19 6.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 36.3 t -122.5 149.01 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.049 HG11 HG23 ' A' ' 112' ' ' ILE . 25.1 t -120.52 138.08 52.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.491 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.4 t -158.68 175.42 13.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.82 163.13 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.773 HG13 ' CA ' ' A' ' 88' ' ' PHE . 10.7 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -81.67 126.66 32.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.615 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -136.69 166.29 23.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.773 ' CA ' HG13 ' A' ' 73' ' ' VAL . 7.0 p90 -152.52 151.04 30.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.491 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 6.4 tt0 -100.01 145.43 27.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.678 ' CD1' HD13 ' A' ' 115' ' ' ILE . 93.5 mt -138.4 106.09 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.6 mt -86.9 142.8 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.538 HG21 ' CG2' ' A' ' 63' ' ' ILE . 72.1 p -106.79 179.15 4.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.73 -16.23 60.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.826 ' HB3' HG23 ' A' ' 96' ' ' VAL . 29.0 t70 -95.86 -1.09 50.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.565 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 79.27 5.05 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.826 HG23 ' HB3' ' A' ' 94' ' ' ASP . 43.7 t -65.28 129.98 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.565 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 7.5 m-70 -102.91 143.94 31.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.626 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.571 ' CE2' HG12 ' A' ' 96' ' ' VAL . 72.0 m-85 -136.3 135.47 38.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.47 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 60.7 m-85 -111.52 107.49 16.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -115.61 132.63 56.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.615 ' HG3' HD23 ' A' ' 87' ' ' LEU . 3.9 tt0 -96.88 123.76 40.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.18 134.03 35.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.167 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.76 -65.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 63.9 p -96.01 162.43 23.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.443 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.74 21.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -91.03 -28.23 18.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -71.06 -35.79 72.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.302 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.485 ' O ' HD12 ' A' ' 112' ' ' ILE . 4.4 ttm180 -58.9 -44.88 91.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -69.26 -41.76 76.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.4 mt-10 -58.8 -59.8 4.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.675 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 9.4 m95 -43.83 -60.61 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 107.981 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.049 HG23 HG11 ' A' ' 70' ' ' VAL . 3.1 mt -41.08 -66.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.481 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -53.38 -30.85 42.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -66.07 -56.11 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.678 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.5 mt -57.72 -36.43 54.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.093 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.69 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.4 mt-30 -64.09 -51.44 64.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.489 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -48.37 -42.19 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.427 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -69.58 -66.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 30.3 t -48.83 -29.01 4.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' GLN . 18.4 mmt-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.535 HD12 ' CG2' ' A' ' 40' ' ' ILE . 24.1 mm -105.35 143.55 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.467 HD11 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -112.19 -27.54 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -168.91 147.26 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.648 ' HG2' HG23 ' A' ' 40' ' ' ILE . 59.9 mt-30 -140.02 159.78 41.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.63 -170.48 35.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.1 p -106.49 159.87 15.84 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.506 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 12.6 mt -154.03 152.66 30.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.818 HD11 HG22 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -96.65 100.22 11.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -89.97 119.23 30.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.818 HG22 HD11 ' A' ' 25' ' ' LEU . 41.5 t -63.68 142.81 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.03 151.97 22.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 50' ' ' TYR . 8.1 tptt -83.21 141.65 31.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.793 ' CD2' HD11 ' A' ' 48' ' ' LEU . 10.2 m-85 -137.62 113.62 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.785 HD12 ' CE1' ' A' ' 51' ' ' TYR . 66.3 mt -109.17 132.52 57.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.428 HD23 HG13 ' A' ' 19' ' ' ILE . 25.5 tp -108.12 135.56 49.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.467 ' CA ' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -139.15 126.49 21.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -101.67 138.82 38.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.507 ' N ' ' C ' ' A' ' 45' ' ' PRO . 52.2 t0 58.45 76.58 0.45 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.507 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.5 Cg_endo -75.01 164.91 87.31 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.044 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.54 96.79 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.438 ' N ' HD12 ' A' ' 65' ' ' LEU . 5.2 m-85 -144.89 162.86 35.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.157 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.939 ' CD1' HD12 ' A' ' 63' ' ' ILE . 1.5 tm? -130.77 111.04 11.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.429 ' NE2' ' HB2' ' A' ' 62' ' ' ALA . 45.1 m80 -105.69 140.62 38.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.615 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.576 ' CE1' ' O ' ' A' ' 61' ' ' GLY . 3.0 p90 -134.42 125.87 28.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.785 ' CE1' HD12 ' A' ' 40' ' ' ILE . 3.4 m-85 -113.11 159.94 18.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 12.0 t70 -64.39 143.08 98.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -46.01 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.475 1.776 . . . . 0.0 110.958 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.409 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -60.41 -31.95 70.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.584 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 144.94 157.07 7.07 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.475 1.109 . . . . 0.0 111.056 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 171.12 -33.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 76.15 -69.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.84 149.32 96.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.529 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.96 133.92 17.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.27 -29.6 63.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.576 ' O ' ' CE1' ' A' ' 50' ' ' TYR . . . 170.76 173.66 38.1 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.429 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . . . -118.7 166.73 12.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.939 HD12 ' CD1' ' A' ' 48' ' ' LEU . 35.7 mt -133.7 113.93 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.611 ' CE1' ' HD2' ' A' ' 66' ' ' ARG . 11.5 t60 -56.43 124.99 20.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.628 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.633 HD22 HG23 ' A' ' 115' ' ' ILE . 72.3 mt -110.72 -29.62 7.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.611 ' HD2' ' CE1' ' A' ' 64' ' ' HIS . 3.3 mtt-85 -36.59 -50.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.346 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.05 56.37 0.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.428 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 20.3 p -106.08 178.68 4.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 91' ' ' ILE . 46.3 t -140.47 141.57 32.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.032 HG11 HG23 ' A' ' 112' ' ' ILE . 37.4 t -108.12 138.44 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.485 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.2 t -157.18 175.84 13.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.97 144.91 42.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.02 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.787 HG13 ' HA ' ' A' ' 88' ' ' PHE . 15.5 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -79.94 123.57 27.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.488 ' CD2' ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -132.7 -177.67 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.787 ' HA ' HG13 ' A' ' 73' ' ' VAL . 14.7 p90 -169.97 149.63 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.582 ' OE1' HD11 ' A' ' 91' ' ' ILE . 5.4 tt0 -99.88 138.5 36.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.7 mt -131.71 108.79 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.582 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.6 mt -88.73 141.88 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.725 HG21 HG23 ' A' ' 63' ' ' ILE . 34.5 p -104.7 -179.58 3.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.28 -15.17 62.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.5 ' CB ' HG23 ' A' ' 96' ' ' VAL . 1.5 m-20 -97.33 -0.19 46.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.598 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 78.7 5.43 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.5 HG23 ' CB ' ' A' ' 94' ' ' ASP . 20.1 t -63.95 131.26 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 12.6 m-70 -102.92 138.17 40.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.566 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.422 ' HB3' HD21 ' A' ' 100' ' ' LEU . 61.1 m-85 -133.3 134.33 43.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -111.33 107.57 16.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.718 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -114.79 128.48 56.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.488 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 4.6 tt0 -93.47 129.04 39.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.761 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -98.15 122.5 41.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.76 -63.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.413 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 2.9 p -93.82 164.12 21.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.431 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.95 -16.0 20.56 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.525 1.802 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.94 -48.75 12.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.761 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 1.9 tp10 -50.18 -48.95 53.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.663 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -48.71 -43.96 37.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.81 -50.46 24.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 114' ' ' ALA . 6.7 mt-10 -52.83 -56.83 12.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.72 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 3.7 m95 -43.6 -59.16 2.3 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.032 HG23 HG11 ' A' ' 70' ' ' VAL . 1.7 mt -41.03 -66.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.521 ' N ' HG22 ' A' ' 112' ' ' ILE . 27.4 mtmt -55.68 -29.98 60.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -62.55 -57.22 11.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.633 HG23 HD22 ' A' ' 65' ' ' LEU . 1.7 mp -58.8 -40.28 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.801 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.4 mt-30 -60.54 -50.42 73.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.48 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -50.06 -44.13 51.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.445 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -74.79 -59.73 2.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.7 p -47.59 -34.63 8.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 110.327 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.807 HG21 ' CD ' ' A' ' 21' ' ' GLN . 48.6 mm -94.06 144.79 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -110.91 -40.68 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -150.95 150.07 30.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.807 ' CD ' HG21 ' A' ' 18' ' ' ILE . 48.9 mt-30 -146.48 158.43 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.9 -171.97 37.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.0 p -110.47 139.17 45.94 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 mt -131.89 162.46 30.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.774 HD11 HG22 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -100.67 99.23 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.594 ' HG3' HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -86.47 116.8 24.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mttp . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.774 HG22 HD11 ' A' ' 25' ' ' LEU . 40.5 t -64.25 140.59 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -156.08 154.62 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.88 131.44 35.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.787 ' CD1' HD11 ' A' ' 48' ' ' LEU . 4.5 m-85 -127.44 112.86 15.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.996 HD12 ' CE1' ' A' ' 51' ' ' TYR . 51.5 mt -107.47 129.14 61.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.1 tp -107.51 135.87 48.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.571 ' NH1' HD11 ' A' ' 18' ' ' ILE . 4.4 ptp180 -138.29 126.03 22.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.41 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -101.07 144.19 30.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.516 ' N ' ' C ' ' A' ' 45' ' ' PRO . 15.6 t70 57.82 76.12 0.49 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.516 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -75.01 169.41 74.64 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.998 0.024 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.49 96.69 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.559 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 6.7 m-85 -145.37 161.59 39.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.042 HD12 HD12 ' A' ' 63' ' ' ILE . 1.1 tm? -131.75 110.97 11.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.795 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 62.9 m80 -105.22 147.87 27.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.63 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.525 ' HD2' HD23 ' A' ' 60' ' ' LEU . 2.1 p90 -132.95 149.9 52.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.996 ' CE1' HD12 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -137.22 148.26 46.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 110.977 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 55' ' ' GLY . 1.1 t70 -61.78 138.7 95.44 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.441 ' C ' ' N ' ' A' ' 55' ' ' GLY . 18.4 Cg_endo -75.01 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.42 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -41.38 -29.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 53' ' ' PRO . . . 129.91 137.57 4.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -168.29 179.51 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -115.22 -53.23 2.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -102.14 152.81 38.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.562 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.0 144.97 30.88 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.793 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.763 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -58.92 -44.84 91.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.496 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . -172.9 -164.71 28.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.795 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -147.5 163.09 37.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.042 HD12 HD12 ' A' ' 48' ' ' LEU . 19.9 mt -119.17 116.95 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.559 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 5.7 t-160 -61.66 119.49 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.602 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.411 ' HA ' ' SG ' ' A' ' 68' ' ' CYS . 24.3 mt -102.59 10.64 38.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.491 ' HD2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -52.4 -60.99 2.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.3 35.29 2.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 15.6 p -74.93 175.61 7.93 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -137.9 151.09 25.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.904 HG11 HG23 ' A' ' 112' ' ' ILE . 25.0 t -116.37 138.59 46.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.498 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -153.83 175.73 12.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.69 162.59 18.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.511 HG13 ' HA ' ' A' ' 88' ' ' PHE . 25.2 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -90.07 111.05 22.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.31 178.17 4.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 33.1 p90 -165.94 156.05 12.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.498 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 36.2 tt0 -105.93 149.97 26.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.425 ' CD1' HD13 ' A' ' 115' ' ' ILE . 52.9 mt -143.35 109.35 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -86.83 141.27 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.572 HG21 HG23 ' A' ' 63' ' ' ILE . 42.3 p -102.26 -165.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.03 -21.48 56.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.767 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -93.89 2.35 56.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.594 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.7 mt-10 80.0 2.13 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.767 HG23 ' HB3' ' A' ' 94' ' ' ASP . 24.8 t -59.87 130.16 23.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 9.1 m-70 -103.5 141.34 36.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.604 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -134.8 128.89 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -111.39 107.44 16.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -110.49 145.74 37.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.502 ' HB3' HD23 ' A' ' 25' ' ' LEU . 1.2 tt0 -97.92 122.86 41.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.17 121.25 34.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.06 -62.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 26.4 p -100.26 162.48 20.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 110.424 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.423 ' O ' ' NH1' ' A' ' 108' ' ' ARG . 18.4 Cg_endo -75.0 -7.65 19.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -91.55 -33.27 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.44 -39.34 94.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.851 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.7 tmm_? -57.82 -45.21 86.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -71.27 -41.91 69.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 110.364 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.9 mt-10 -60.32 -55.58 31.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.65 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 6.1 m95 -45.92 -59.77 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 108.009 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.904 HG23 HG11 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -43.2 -64.14 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.471 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.6 OUTLIER -54.97 -26.86 39.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -72.18 -57.43 4.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.586 HD12 ' O ' ' A' ' 111' ' ' TRP . 2.7 mp -58.16 -43.38 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.743 ' HG2' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -57.74 -52.08 66.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.472 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -48.17 -44.93 32.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.444 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -69.78 -66.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 118' ' ' ALA . 86.3 p -37.98 -49.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 68.3 mtt-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.243 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 13.8 mt -92.51 165.23 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.495 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -131.19 -44.02 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -145.95 147.52 31.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.562 ' HG2' HG23 ' A' ' 40' ' ' ILE . 34.6 mt-30 -146.5 157.66 43.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.68 179.26 31.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.152 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.6 p -98.1 142.76 29.39 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.488 ' C ' HD22 ' A' ' 25' ' ' LEU . 23.3 mt -135.73 164.18 28.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.786 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -103.15 98.51 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -90.95 127.95 36.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.737 HG22 HD11 ' A' ' 25' ' ' LEU . 23.0 t -72.67 135.21 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -150.65 158.6 44.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -88.7 139.79 30.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.682 ' CD1' HD11 ' A' ' 48' ' ' LEU . 10.4 m-85 -135.63 114.63 12.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.801 HD12 ' CE1' ' A' ' 51' ' ' TYR . 71.3 mt -108.78 131.79 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.6 tp -109.28 136.89 48.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.427 ' HA ' ' CD1' ' A' ' 19' ' ' ILE . 17.6 ptp180 -141.35 126.2 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -100.74 142.67 31.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.509 ' N ' ' C ' ' A' ' 45' ' ' PRO . 9.4 t70 57.77 76.42 0.47 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.509 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.0 169.34 74.82 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.013 -0.028 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.78 97.08 9.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.413 ' N ' HD12 ' A' ' 65' ' ' LEU . 6.7 m-85 -149.35 152.38 35.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.939 ' CD1' HD12 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -115.84 114.86 25.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.529 ' NE2' ' HB2' ' A' ' 62' ' ' ALA . 32.3 m80 -106.23 125.69 51.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.63 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 29.8 p90 -122.25 131.83 54.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.801 ' CE1' HD12 ' A' ' 40' ' ' ILE . 6.2 m-85 -119.13 160.6 21.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.471 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 5.0 t70 -70.28 143.63 91.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -49.98 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.544 1.813 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.471 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -43.35 -35.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 147.09 149.93 5.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . -179.81 176.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.35 -58.17 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.22 154.98 47.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.564 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.92 126.65 10.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 3.8 mt -42.87 -28.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 59' ' ' PRO . . . 168.86 -166.26 39.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.529 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . . . -141.31 147.62 38.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.939 HD12 ' CD1' ' A' ' 48' ' ' LEU . 49.1 mt -110.7 128.42 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.526 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 25.4 t60 -63.71 126.46 27.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.649 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' ' 66' ' ' ARG . 49.2 mt -118.5 -34.53 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.526 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 7.8 mtt180 -30.96 -45.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.488 ' H ' ' CD2' ' A' ' 64' ' ' HIS . . . -137.24 58.56 0.64 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.567 1.167 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 20.4 p -105.24 -177.48 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.7 t -137.55 147.27 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.025 HG11 HG23 ' A' ' 112' ' ' ILE . 38.4 t -114.53 140.6 34.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.474 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.0 OUTLIER -157.7 175.88 13.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 110.373 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.33 153.66 32.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.046 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.854 HG13 ' HA ' ' A' ' 88' ' ' PHE . 16.0 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -74.2 109.5 7.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.647 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -115.04 -179.24 3.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.854 ' HA ' HG13 ' A' ' 73' ' ' VAL . 12.8 p90 -169.14 149.02 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.552 ' OE1' HD11 ' A' ' 91' ' ' ILE . 6.2 tt0 -99.63 140.76 33.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.643 HD13 HD13 ' A' ' 115' ' ' ILE . 80.6 mt -132.67 103.45 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.552 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.4 mt -83.4 143.84 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.741 HG21 HG23 ' A' ' 63' ' ' ILE . 68.2 p -110.12 175.25 5.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.485 ' CB ' ' CD2' ' A' ' 64' ' ' HIS . . . -59.09 -20.22 51.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.823 ' HB3' HG23 ' A' ' 96' ' ' VAL . 56.2 t0 -91.61 -1.96 57.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.612 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 78.62 5.43 2.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.823 HG23 ' HB3' ' A' ' 94' ' ' ASP . 45.5 t -63.46 132.97 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.612 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 11.0 m-70 -106.97 138.18 43.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -132.18 141.77 49.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -115.51 109.15 17.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.654 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -117.29 139.52 50.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.647 ' HG3' HD23 ' A' ' 87' ' ' LEU . 4.3 tt0 -105.51 125.56 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -92.4 124.13 36.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.93 -53.18 6.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 38.4 p -108.07 163.28 17.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.96 -15.99 20.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -84.51 -31.53 24.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.528 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -68.08 -40.79 82.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.59 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.0 OUTLIER -54.02 -46.71 71.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.9 -41.57 78.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.428 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.88 -52.94 63.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.572 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 14.3 m95 -50.64 -61.24 2.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 108.002 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.025 HG23 HG11 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -40.38 -62.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.451 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -55.76 -39.56 71.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -56.07 -55.56 31.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.643 HD13 HD13 ' A' ' 90' ' ' ILE . 3.0 mt -58.86 -43.24 87.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.745 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.1 mt-30 -57.08 -52.01 67.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.452 ' SD ' HG21 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -47.97 -46.43 32.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.963 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -69.55 -65.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 79.9 p -43.49 -33.47 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.502 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 15.9 mt -93.35 165.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.502 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -141.17 -43.38 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HG2' ' CD2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -132.64 146.69 52.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.569 ' HG2' HG23 ' A' ' 40' ' ' ILE . 34.6 mt-30 -154.85 149.21 26.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.71 -170.9 34.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.2 m -99.85 152.2 20.41 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.534 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 16.6 mt -150.08 155.21 39.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.764 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -97.39 98.8 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -89.75 122.66 33.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HG2' ' CZ ' ' A' ' 37' ' ' ARG . 2.2 tttt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.632 HG22 HD11 ' A' ' 25' ' ' LEU . 16.4 t -79.75 135.28 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 35' ' ' LYS . 78.9 mtt-85 -153.06 152.2 31.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -80.36 141.65 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.611 ' CD2' HD11 ' A' ' 48' ' ' LEU . 8.1 m-85 -136.46 114.38 11.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.742 HD12 ' CE1' ' A' ' 51' ' ' TYR . 72.2 mt -109.86 132.0 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.47 HD21 ' O ' ' A' ' 114' ' ' ALA . 30.4 tp -108.38 139.02 43.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.457 ' CB ' ' CZ ' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -140.52 126.92 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -102.47 143.99 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.233 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.518 ' N ' ' C ' ' A' ' 45' ' ' PRO . 28.2 t70 54.28 76.06 0.56 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.518 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.0 170.49 71.71 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.973 0.002 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.33 95.97 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.442 ' CE1' ' ND1' ' A' ' 64' ' ' HIS . 5.7 m-85 -142.34 163.23 33.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.077 HD12 HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -133.76 111.1 10.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.587 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 63.6 m80 -102.76 144.7 30.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -136.48 122.43 20.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.742 ' CE1' HD12 ' A' ' 40' ' ' ILE . 12.9 m-85 -109.86 158.76 17.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 9.0 t70 -68.4 140.16 92.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.515 1.798 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.417 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -44.44 -30.08 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.25 142.13 4.28 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -169.77 -176.99 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -120.8 -63.54 1.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -93.69 162.29 27.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.96 128.17 11.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -47.32 -30.82 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 178.78 -162.29 29.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.587 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -156.22 152.25 27.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.077 HD12 HD12 ' A' ' 48' ' ' LEU . 13.6 mt -117.36 115.71 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.615 ' CE1' ' HG3' ' A' ' 66' ' ' ARG . 0.7 OUTLIER -64.05 128.74 37.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.616 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.407 ' HA ' ' SG ' ' A' ' 68' ' ' CYS . 25.9 mt -106.03 16.6 24.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.615 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -70.94 87.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.73 20.33 66.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 19.9 p -61.25 176.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.6 t -135.07 140.09 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.954 HG11 HG23 ' A' ' 112' ' ' ILE . 25.6 t -110.58 138.92 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -158.23 168.74 26.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.46 162.43 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.706 HG13 ' CA ' ' A' ' 88' ' ' PHE . 14.0 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -85.11 114.29 22.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.637 HD12 HG21 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -123.52 170.48 10.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.706 ' CA ' HG13 ' A' ' 73' ' ' VAL . 19.4 p90 -156.7 148.84 23.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.544 ' OE1' HD11 ' A' ' 91' ' ' ILE . 3.9 tt0 -99.87 136.76 39.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.792 ' CD1' HD13 ' A' ' 115' ' ' ILE . 75.7 mt -130.03 116.91 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.544 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.4 mt -95.55 144.11 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.477 HG21 ' CG2' ' A' ' 63' ' ' ILE . 36.9 p -106.46 -172.2 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.41 1.069 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 66' ' ' ARG . . . -72.73 -7.7 51.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.815 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -105.62 2.14 27.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.504 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.3 mt-10 77.41 4.49 3.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.815 HG23 ' HB3' ' A' ' 94' ' ' ASP . 48.9 t -66.11 128.93 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.6 m-70 -100.91 144.3 30.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.607 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.637 ' CE1' HG12 ' A' ' 96' ' ' VAL . 79.0 m-85 -135.6 127.39 29.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -105.86 109.02 20.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.668 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -116.3 132.6 56.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.577 ' HG3' HD23 ' A' ' 87' ' ' LEU . 1.8 tt0 -97.35 131.01 44.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.781 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -103.24 124.65 49.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -39.67 -62.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.4 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 51.4 p -99.27 162.81 20.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -74.96 -18.27 18.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.6 ttpp -79.0 -28.42 43.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.781 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 2.4 tp10 -73.08 -41.47 64.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.731 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.7 tmm_? -46.16 -49.83 16.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.496 ' CG2' ' HD2' ' A' ' 113' ' ' LYS . 2.5 m -68.11 -63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 109' ' ' THR . 8.4 mt-10 -35.27 -57.74 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.671 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 3.0 m95 -49.8 -57.8 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 107.979 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.954 HG23 HG11 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -46.49 -63.82 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.556 ' N ' HG22 ' A' ' 112' ' ' ILE . 5.2 mtpt -50.19 -37.13 33.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -58.14 -51.93 67.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.792 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.6 mt -57.02 -52.31 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 117' ' ' MET . 38.6 mt-30 -49.43 -62.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.438 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.5 OUTLIER -36.89 -48.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -68.87 -53.75 19.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 60.4 p -46.85 -48.77 20.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.434 HG22 ' H ' ' A' ' 18' ' ' ILE . 1.8 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.512 ' C ' HD13 ' A' ' 19' ' ' ILE . 32.0 mt -105.06 166.03 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.908 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -140.85 -44.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -133.8 145.98 50.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.613 ' HG2' HG23 ' A' ' 40' ' ' ILE . 32.2 mt-30 -152.61 145.01 24.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.41 -158.33 31.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 37' ' ' ARG . 93.5 m -124.75 140.26 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.473 ' C ' HD22 ' A' ' 25' ' ' LEU . 78.2 mt -131.71 166.8 20.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.816 HD11 HG22 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -104.29 99.48 9.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -85.39 112.33 20.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.816 HG22 HD11 ' A' ' 25' ' ' LEU . 39.5 t -64.42 141.69 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 1.0 OUTLIER -153.13 148.2 26.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -85.34 128.31 34.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CD2' HD11 ' A' ' 48' ' ' LEU . 9.9 m-85 -124.79 121.36 34.37 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.761 ' O ' HD22 ' A' ' 48' ' ' LEU . 86.0 mt -113.75 133.76 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.9 tp -108.02 138.18 44.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 45' ' ' PRO . 14.9 mtt85 -138.74 121.06 15.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.908 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -100.32 143.31 30.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.514 ' N ' ' C ' ' A' ' 45' ' ' PRO . 27.8 t70 51.06 76.51 0.54 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.514 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.05 169.62 74.06 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.954 0.061 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.13 95.71 7.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.537 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 6.4 m-85 -144.07 146.58 32.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.05 HD12 HD12 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -120.34 110.54 16.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.805 ' ND1' ' HB2' ' A' ' 62' ' ' ALA . 59.4 m-70 -108.35 144.91 35.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.578 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 4.6 p90 -128.95 144.51 51.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.717 ' CE1' HD12 ' A' ' 40' ' ' ILE . 0.8 OUTLIER -131.35 166.19 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.427 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 3.6 t70 -70.42 132.55 87.62 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.6 5.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.771 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.427 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -53.75 -26.75 24.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.4 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . 128.75 114.1 1.75 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -159.02 -174.24 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -123.71 -65.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -73.85 135.64 77.42 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.577 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.98 130.74 13.58 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.593 ' H ' HD22 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -39.75 -45.8 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.454 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . -170.39 -171.35 35.71 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.805 ' HB2' ' ND1' ' A' ' 49' ' ' HIS . . . -140.17 170.93 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.05 HD12 HD12 ' A' ' 48' ' ' LEU . 14.7 mt -132.65 117.4 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 3.7 t-160 -61.64 127.79 33.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.642 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 47' ' ' TYR . 21.9 mt -108.47 7.72 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.43 -61.31 2.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.14 36.08 2.81 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.8 p -74.29 179.82 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.9 t -146.31 149.99 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.886 HG11 HG23 ' A' ' 112' ' ' ILE . 42.4 t -116.63 142.5 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.58 168.59 26.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.88 154.99 26.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.009 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.9 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -68.3 118.77 11.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.553 HD22 ' HB2' ' A' ' 101' ' ' GLN . 0.5 OUTLIER -114.78 175.22 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 24.1 p90 -169.74 152.25 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.59 ' OE1' ' CD1' ' A' ' 99' ' ' PHE . 0.7 OUTLIER -103.55 136.95 42.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.658 ' CD1' HD13 ' A' ' 115' ' ' ILE . 60.5 mt -126.15 103.92 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -80.26 137.94 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.593 HG22 ' CG2' ' A' ' 63' ' ' ILE . 48.2 p -97.5 -165.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.48 -19.96 51.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.881 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.7 OUTLIER -94.26 0.9 55.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.8 mt-10 83.82 -0.54 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.881 HG23 ' HB3' ' A' ' 94' ' ' ASP . 44.5 t -59.47 132.53 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 3.6 m-70 -107.49 141.66 38.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.552 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -133.05 128.78 37.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.59 ' CD1' ' OE1' ' A' ' 89' ' ' GLU . 71.7 m-85 -103.8 107.61 18.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.3 mm? -108.51 170.18 8.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.553 ' HB2' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -136.38 133.65 36.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.414 ' HB1' ' HG2' ' A' ' 107' ' ' GLU . . . -105.86 149.12 26.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.16 -66.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.6 p -87.87 162.93 39.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.417 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.15 15.08 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.5 1.789 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.36 -35.61 54.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.414 ' HG2' ' HB1' ' A' ' 102' ' ' ALA . 5.3 tt0 -60.64 -56.66 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.726 ' O ' HD12 ' A' ' 112' ' ' ILE . 6.2 ttp180 -38.98 -48.49 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -68.91 -53.02 23.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -46.51 -54.27 9.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.536 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 7.0 m95 -49.01 -61.54 2.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 107.971 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.886 HG23 HG11 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -39.68 -64.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.508 ' N ' HG22 ' A' ' 112' ' ' ILE . 27.5 mtmt -54.23 -42.77 70.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -53.57 -58.48 7.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.658 HD13 ' CD1' ' A' ' 90' ' ' ILE . 4.7 mt -54.25 -44.96 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.612 ' HG2' HG21 ' A' ' 70' ' ' VAL . 3.8 mt-30 -55.67 -59.61 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.527 ' SD ' HG21 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -40.83 -44.18 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 0.0 110.985 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.445 ' HA ' ' CB ' ' A' ' 43' ' ' GLU . . . -70.99 -68.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 118' ' ' ALA . 55.0 p -36.37 -58.12 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.412 ' HD2' ' O ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.533 HG22 ' H ' ' A' ' 18' ' ' ILE . 7.4 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.825 HG21 ' CD ' ' A' ' 21' ' ' GLN . 50.9 mm -90.6 143.64 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.431 HG21 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -112.85 -35.19 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -155.69 148.93 24.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.825 ' CD ' HG21 ' A' ' 18' ' ' ILE . 46.0 mt-30 -145.66 168.54 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.23 -174.68 28.74 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.2 m -108.92 134.71 51.23 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.531 HD11 ' CE2' ' A' ' 111' ' ' TRP . 32.9 mt -130.39 158.94 38.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.791 ' CD1' HG22 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -94.45 99.89 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HE2' ' CD1' ' A' ' 98' ' ' TYR . 20.5 tttt -86.08 98.07 10.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 5.8 mtpt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.791 HG22 ' CD1' ' A' ' 25' ' ' LEU . 36.6 t -107.58 142.29 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.69 150.44 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.554 ' HE2' HD11 ' A' ' 40' ' ' ILE . 3.2 tttm -80.39 142.18 34.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.651 ' CD2' HD11 ' A' ' 48' ' ' LEU . 12.1 m-85 -136.34 122.84 20.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.776 HD12 ' CE1' ' A' ' 51' ' ' TYR . 69.1 mt -119.46 130.17 74.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.5 tp -107.8 136.84 46.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.401 ' HA ' ' CD1' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -139.74 124.84 18.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -100.33 142.67 31.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.52 ' N ' ' C ' ' A' ' 45' ' ' PRO . 4.8 m-20 54.36 76.11 0.55 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.52 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.03 168.99 75.78 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.976 -2.51 . . . . 0.0 110.999 0.019 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.41 100.9 12.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -149.8 160.45 43.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.083 HD12 HD12 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -129.92 110.37 11.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.672 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 71.7 m80 -105.42 139.82 39.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 2.0 p90 -125.79 150.2 47.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.776 ' CE1' HD12 ' A' ' 40' ' ' ILE . 1.2 m-85 -136.0 163.71 29.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.664 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 5.9 t70 -74.75 140.27 74.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -40.4 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.664 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -46.71 -43.19 17.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.29 131.22 2.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -161.26 -161.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -128.5 -62.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.85 152.3 40.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.575 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -75.03 134.37 17.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.573 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -40.07 -46.44 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.55 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . -171.48 -163.24 25.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.672 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -143.93 162.75 35.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.083 HD12 HD12 ' A' ' 48' ' ' LEU . 13.2 mt -124.45 116.87 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.569 ' CE1' ' HG3' ' A' ' 66' ' ' ARG . 0.8 OUTLIER -58.59 132.11 52.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.607 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.8 mt -115.03 -1.01 13.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -38.53 -64.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -129.2 35.37 2.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.9 p -67.6 171.58 6.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.05 146.06 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.142 HG11 HG23 ' A' ' 112' ' ' ILE . 39.7 t -113.12 140.67 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.416 HG22 ' HB3' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -157.52 172.99 17.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.45 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.97 147.74 43.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.832 HG22 ' O ' ' A' ' 87' ' ' LEU . 33.2 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -92.85 111.72 23.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.832 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -126.4 174.26 8.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.624 ' HA ' HG13 ' A' ' 73' ' ' VAL . 19.0 p90 -153.89 148.4 26.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.416 ' HB3' HG22 ' A' ' 71' ' ' THR . 40.2 tt0 -100.24 133.33 44.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.653 ' CD1' HD13 ' A' ' 115' ' ' ILE . 89.2 mt -124.96 106.03 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.401 HG12 ' ND1' ' A' ' 97' ' ' HIS . 2.6 mt -83.76 142.49 13.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.614 HG21 HG23 ' A' ' 63' ' ' ILE . 31.7 p -106.38 -179.09 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.451 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.98 -12.94 58.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.803 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.6 OUTLIER -98.06 0.21 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.588 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.5 mt-10 77.73 4.46 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.803 HG23 ' HB3' ' A' ' 94' ' ' ASP . 45.2 t -67.53 130.14 32.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 3.2 m-70 -103.82 147.14 27.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.563 ' CD1' ' HE2' ' A' ' 26' ' ' LYS . 38.3 m-85 -141.57 123.77 15.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -98.89 107.2 19.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 1.6 mm? -108.59 128.59 54.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.573 ' HB2' HD22 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -93.97 116.04 28.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.448 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -83.42 142.03 31.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.36 -62.36 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.4 p -106.62 167.53 9.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -8.09 19.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -88.57 -35.06 17.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.448 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 2.3 tp10 -68.13 -44.19 76.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.586 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -50.15 -46.6 54.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -69.34 -42.31 75.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.399 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.2 mt-10 -59.39 -56.39 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.687 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 9.7 m95 -42.28 -61.88 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 108.061 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.142 HG23 HG11 ' A' ' 70' ' ' VAL . 2.4 mt -40.16 -68.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.486 ' N ' HG22 ' A' ' 112' ' ' ILE . 1.3 mtmt -51.33 -31.81 23.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -65.51 -58.14 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.653 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.5 mt -59.28 -39.02 77.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.898 ' HG2' HG21 ' A' ' 70' ' ' VAL . 3.1 mm100 -61.74 -49.18 77.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.487 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -49.47 -43.87 45.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.67 -57.56 4.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 91.6 p -51.84 -31.12 26.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 116' ' ' GLN . 38.0 mmt-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.99 100.06 4.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 0.749 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -165.75 140.96 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.65 142.07 7.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.56 108.71 12.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 110.022 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p 51.4 75.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.1 -86.75 1.63 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.421 HG22 ' N ' ' A' ' 9' ' ' ILE . 14.4 p -135.8 163.63 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.574 0.808 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.421 ' N ' HG22 ' A' ' 8' ' ' VAL . 1.8 mp -45.62 154.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.67 HD12 ' CD ' ' A' ' 15' ' ' ARG . 2.0 tm? -98.21 116.21 29.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.54 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -55.43 -168.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -110.31 -46.51 3.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.73 -12.94 52.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.587 ' CD1' ' CZ ' ' A' ' 42' ' ' ARG . 20.3 m-85 -110.76 17.6 20.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.67 ' CD ' HD12 ' A' ' 10' ' ' LEU . 39.7 mmm-85 -78.28 53.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.59 -158.31 8.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.435 HG22 ' N ' ' A' ' 18' ' ' ILE . 10.4 p -127.11 166.57 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.489 HD13 ' HA ' ' A' ' 18' ' ' ILE . 13.3 mm -91.84 143.89 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.453 ' CG2' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -115.37 -36.92 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HG2' ' CH2' ' A' ' 111' ' ' TRP . 30.7 tttp -156.22 146.76 21.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.472 ' HG2' HG23 ' A' ' 40' ' ' ILE . 34.8 mt-30 -144.29 147.87 34.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.32 -171.08 43.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.6 m -106.61 135.11 48.7 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 101' ' ' GLN . 13.5 mt -131.1 157.1 44.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.793 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -103.69 100.43 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 37.8 tttt -84.33 127.84 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -81.48 175.58 10.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.77 176.88 20.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -73.94 -52.88 11.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 109.615 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -49.47 -31.63 10.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? 64.83 53.17 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.71 87.41 2.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.1 m120 58.0 166.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.349 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 84' ' ' GLU . 4.6 m95 -99.32 176.58 5.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 107.988 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.78 116.45 8.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.791 HG22 HD11 ' A' ' 25' ' ' LEU . 39.3 t -58.98 138.42 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.84 141.42 19.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 10.8 tttt -79.98 98.39 7.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.686 ' CD2' HD11 ' A' ' 48' ' ' LEU . 5.2 m-85 -87.73 113.27 23.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.872 HD12 ' CE1' ' A' ' 51' ' ' TYR . 72.4 mt -106.67 129.87 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.423 HD23 HG13 ' A' ' 19' ' ' ILE . 19.9 tp -107.6 136.78 46.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.587 ' CZ ' ' CD1' ' A' ' 14' ' ' PHE . 1.8 ptm180 -139.05 124.55 19.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -100.01 141.29 33.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.523 ' N ' ' C ' ' A' ' 45' ' ' PRO . 39.9 t0 56.75 75.81 0.54 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.523 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.0 169.97 73.12 Favored 'Cis proline' 0 C--N 1.359 1.107 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.966 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.72 98.74 9.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.684 ' CZ ' ' CD2' ' A' ' 64' ' ' HIS . 6.5 m-85 -145.64 157.81 43.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.873 HD12 HD12 ' A' ' 63' ' ' ILE . 1.3 tm? -123.66 110.69 15.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.157 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.791 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 58.5 m80 -105.95 140.31 39.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 27.2 p90 -130.09 120.96 25.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.872 ' CE1' HD12 ' A' ' 40' ' ' ILE . 17.2 m-85 -106.96 175.04 5.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.711 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 7.7 t70 -87.53 139.13 31.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.47 ' HG3' HG12 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -75.03 -37.05 2.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.711 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -49.31 -41.59 38.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.49 -95.24 0.11 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.575 1.172 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 62.15 -175.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -137.74 -55.25 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.84 163.26 22.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.518 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.0 133.27 16.37 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 1.3 mt -52.45 -28.19 19.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -178.83 -154.27 12.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.791 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -164.21 150.49 11.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.873 HD12 HD12 ' A' ' 48' ' ' LEU . 9.7 mt -117.51 119.06 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.684 ' CD2' ' CZ ' ' A' ' 47' ' ' TYR . 4.7 t-160 -65.51 139.22 58.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.568 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.438 HD22 ' SG ' ' A' ' 68' ' ' CYS . 14.2 mt -125.03 7.13 7.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.5 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 7.1 ptt180 -45.56 -27.16 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -165.27 36.75 0.27 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.466 1.103 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.438 ' SG ' HD22 ' A' ' 65' ' ' LEU . 31.1 p -72.1 172.12 10.7 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.4 t -132.38 146.72 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.997 HG11 HG23 ' A' ' 112' ' ' ILE . 31.8 t -113.43 139.83 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.84 158.47 36.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.411 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.23 157.6 16.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.656 HG21 ' HB2' ' A' ' 87' ' ' LEU . 26.9 m -103.75 -173.55 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -86.91 -52.3 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 40.41 80.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -43.17 -69.39 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.19 98.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -167.73 140.99 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 106.48 -112.57 3.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.41 166.38 30.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 0.743 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 77.04 -62.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.84 82.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.496 ' CG ' ' OE2' ' A' ' 84' ' ' GLU . 1.6 tp10 -45.87 -52.1 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 34' ' ' TRP . 4.1 mp0 -138.22 125.07 21.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -130.43 149.69 52.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.538 ' O ' HD23 ' A' ' 87' ' ' LEU . 86.5 m-20 58.03 86.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.656 ' HB2' HG21 ' A' ' 73' ' ' VAL . 2.1 mt -132.76 170.34 15.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 25.9 p90 -168.99 146.76 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 90' ' ' ILE . 1.1 tt0 -99.93 136.5 39.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.428 ' N ' ' HG2' ' A' ' 89' ' ' GLU . 82.7 mt -126.17 103.53 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -79.51 139.67 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.8 p -101.89 -171.54 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.431 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.32 -18.57 61.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.616 ' HB3' HG23 ' A' ' 96' ' ' VAL . 2.1 m-20 -94.21 0.04 55.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.5 mt-10 80.93 0.2 1.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.616 HG23 ' HB3' ' A' ' 94' ' ' ASP . 40.0 t -58.94 135.98 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 8.8 m-70 -108.07 139.9 42.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.603 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -137.42 125.18 22.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -102.95 107.27 18.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.7 mm? -101.45 173.65 6.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.628 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -139.59 128.03 22.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.539 ' HB1' ' HG2' ' A' ' 107' ' ' GLU . . . -99.55 145.01 27.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.64 -63.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.1 p -91.99 162.14 31.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.438 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -9.22 20.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.791 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -90.58 -33.69 15.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.539 ' HG2' ' HB1' ' A' ' 102' ' ' ALA . 1.9 tt0 -65.67 -45.05 84.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.702 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -49.0 -47.61 44.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -70.62 -52.69 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.445 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.3 mt-10 -48.73 -53.52 18.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.257 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.651 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 2.9 m95 -47.19 -62.14 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.997 HG23 HG11 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -39.82 -66.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 112' ' ' ILE . 23.3 mtmt -52.64 -37.77 59.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -57.18 -57.29 13.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -58.18 -44.99 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.716 ' HG2' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -55.59 -50.29 70.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.485 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -50.41 -44.27 55.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -72.48 -57.89 3.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 80.4 p -48.29 -32.5 7.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.416 ' C ' ' OG1' ' A' ' 121' ' ' THR . 27.6 mmt180 -59.62 -29.05 67.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.416 ' OG1' ' C ' ' A' ' 120' ' ' ARG . 1.4 p 43.76 -168.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -128.35 29.53 4.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.4 -179.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.78 99.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.026 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -172.68 -158.88 18.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 91.96 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.2 t 74.68 -68.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.1 m 63.54 114.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.958 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.76 142.9 14.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.987 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 p -108.78 -58.18 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.989 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.09 114.53 0.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.448 1.092 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -170.26 158.76 6.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p -106.68 -58.3 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.83 57.42 0.08 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.3 t -131.81 144.93 35.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -41.4 156.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.677 HD12 ' CD ' ' A' ' 15' ' ' ARG . 2.3 tm? -116.7 118.51 32.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.586 ' O ' HD13 ' A' ' 10' ' ' LEU . 11.7 mttt -55.76 -168.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -111.61 -46.49 3.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.519 ' HG3' ' CE1' ' A' ' 14' ' ' PHE . 9.9 pt-20 -65.36 -11.81 45.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.519 ' CE1' ' HG3' ' A' ' 13' ' ' GLU . 20.2 m-30 -112.2 17.46 19.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.677 ' CD ' HD12 ' A' ' 10' ' ' LEU . 16.2 mmm180 -77.15 54.84 1.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -158.65 -176.32 30.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.507 HG22 ' H ' ' A' ' 18' ' ' ILE . 6.3 p -111.82 170.48 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.764 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.636 HD12 ' CG2' ' A' ' 40' ' ' ILE . 26.8 mm -91.32 139.22 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.42 HG13 HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -112.75 -31.03 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -158.99 149.33 19.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.25 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.481 ' HG3' ' CG2' ' A' ' 18' ' ' ILE . 30.5 mt-30 -152.23 151.14 30.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.57 178.93 35.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.483 ' O ' HD23 ' A' ' 24' ' ' LEU . 4.1 m -95.57 148.46 22.49 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.507 ' C ' HD22 ' A' ' 25' ' ' LEU . 45.0 mt -141.33 164.32 30.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.806 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -105.99 99.26 8.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' GLN . 16.0 tttt -82.48 107.16 14.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' LYS . 1.8 tm0? -37.78 141.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' ARG . . . -159.48 76.82 0.19 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.551 1.157 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.31 79.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 0.0 109.595 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 28' ' ' GLY . 17.3 mtt180 -108.6 -47.28 3.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.39 -42.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.331 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -99.56 177.3 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -53.65 -173.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -59.64 -167.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.07 126.59 16.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.785 HG22 ' CD1' ' A' ' 25' ' ' LEU . 24.5 t -70.46 137.32 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.82 151.22 31.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -88.1 135.1 33.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.788 ' CD2' HD11 ' A' ' 48' ' ' LEU . 15.0 m-85 -130.1 120.87 25.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.954 HD12 ' CE1' ' A' ' 51' ' ' TYR . 89.9 mt -113.23 130.7 66.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.42 HD23 HG13 ' A' ' 19' ' ' ILE . 18.3 tp -108.32 135.16 50.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.52 125.26 18.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -99.67 142.29 31.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.505 ' N ' ' C ' ' A' ' 45' ' ' PRO . 4.4 m-20 57.49 76.65 0.46 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.505 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.0 169.94 73.21 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.009 -0.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.444 ' HB2' HG22 ' A' ' 121' ' ' THR . . . -96.7 99.68 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.447 ' N ' HD12 ' A' ' 65' ' ' LEU . 6.8 m-85 -148.37 166.81 26.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.977 ' CD1' HD12 ' A' ' 63' ' ' ILE . 1.5 tm? -132.53 112.27 11.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.74 ' NE2' ' HB2' ' A' ' 62' ' ' ALA . 38.4 m80 -109.35 129.23 55.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.621 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 7.9 p90 -118.98 121.08 39.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.954 ' CE1' HD12 ' A' ' 40' ' ' ILE . 11.1 m-85 -107.47 151.56 25.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 8.1 t70 -58.8 135.61 86.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -46.95 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.418 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -47.25 -33.4 5.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 146.97 143.71 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 178.93 -178.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -122.53 -63.65 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -87.26 156.47 54.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.555 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.97 139.43 24.35 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.461 1.769 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 4.4 mt -54.93 -32.0 60.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 176.61 -174.46 47.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.74 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . . . -131.71 165.31 24.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.977 HD12 ' CD1' ' A' ' 48' ' ' LEU . 24.4 mt -133.45 116.2 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.458 ' CE1' ' CD ' ' A' ' 66' ' ' ARG . 9.8 t60 -53.86 126.7 23.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.574 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 47' ' ' TYR . 85.5 mt -113.04 -30.23 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.458 ' CD ' ' CE1' ' A' ' 64' ' ' HIS . 3.0 mtt-85 -37.3 -47.45 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.78 56.97 0.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.42 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 17.7 p -108.89 177.65 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.6 t -136.52 152.93 30.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.922 HG11 HG23 ' A' ' 112' ' ' ILE . 24.3 t -117.71 139.36 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.49 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -158.74 172.4 18.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.446 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.08 152.51 34.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.662 HG23 ' H ' ' A' ' 75' ' ' SER . 20.6 m -70.71 -162.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -130.93 28.09 4.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.662 ' H ' HG23 ' A' ' 73' ' ' VAL . 39.1 t -52.76 142.9 17.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -162.59 103.82 1.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.34 143.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -163.29 129.64 3.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -165.87 -121.81 0.58 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.95 -62.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -177.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -132.33 97.94 4.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -74.01 -67.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -138.45 122.93 18.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -77.47 -148.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.541 ' O ' HD23 ' A' ' 87' ' ' LEU . 58.2 m-80 -75.44 131.27 40.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.564 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -139.22 166.04 25.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 9.7 p90 -155.02 144.87 21.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.49 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 10.2 tt0 -99.79 137.48 38.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.854 ' CD1' HD13 ' A' ' 115' ' ' ILE . 87.5 mt -129.62 111.29 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.444 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.5 mt -89.58 146.47 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.692 HG21 HG23 ' A' ' 63' ' ' ILE . 43.0 p -112.96 174.86 5.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.429 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.72 -18.01 27.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.545 ' HB2' HG23 ' A' ' 96' ' ' VAL . 15.5 m-20 -91.91 -5.3 53.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.7 mt-10 81.17 3.65 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.545 HG23 ' HB2' ' A' ' 94' ' ' ASP . 48.6 t -64.7 130.14 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.9 m-70 -102.19 136.83 41.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.636 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.48 ' CE2' HG12 ' A' ' 96' ' ' VAL . 61.6 m-85 -132.96 116.86 16.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -100.29 107.46 19.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.699 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -110.93 151.18 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.564 ' HG3' HD23 ' A' ' 87' ' ' LEU . 3.8 tt0 -109.73 128.92 55.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.401 ' HB1' ' HG2' ' A' ' 107' ' ' GLU . . . -95.07 145.92 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.21 -65.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.403 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 48.1 p -92.84 162.26 29.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.341 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.403 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.99 -13.91 21.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 -28.58 21.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.401 ' HG2' ' HB1' ' A' ' 102' ' ' ALA . 4.5 tt0 -68.44 -49.7 57.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.691 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -45.02 -44.78 10.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.266 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -70.65 -52.15 23.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.391 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.0 mt-10 -48.81 -53.24 20.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.665 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 9.5 m95 -46.77 -60.98 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.922 HG23 HG11 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -41.3 -64.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.521 ' N ' HG22 ' A' ' 112' ' ' ILE . 6.6 mtmt -54.16 -33.38 57.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -62.32 -57.75 10.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.854 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.6 mt -57.64 -42.64 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.797 ' HG2' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -58.14 -51.74 68.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.486 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -48.7 -43.98 37.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.434 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -73.13 -61.98 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.2 p -47.16 -32.2 4.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -59.91 -33.55 72.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.342 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.444 HG22 ' HB2' ' A' ' 46' ' ' ALA . 19.2 p 45.78 -167.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 110.376 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -124.41 10.31 8.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.54 -170.48 3.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.7 p 177.81 84.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.1 168.6 25.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -44.3 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.479 1.779 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.79 169.18 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.05 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 66.87 106.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.968 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m 60.27 157.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.968 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.3 m -146.8 -55.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.973 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.77 159.86 14.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.11 129.33 35.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 0.783 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 m -140.29 -51.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.02 -143.32 16.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 9' ' ' ILE . 2.6 t 58.56 161.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.471 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.9 mp -50.03 146.51 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.766 HD12 ' HB3' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -114.09 121.51 44.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.551 ' HD3' ' CE2' ' A' ' 14' ' ' PHE . 9.9 mttp -59.48 -164.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.472 ' HA ' ' HG2' ' A' ' 15' ' ' ARG . 1.6 mt-10 -110.48 -17.98 13.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.452 ' HG3' ' CE1' ' A' ' 14' ' ' PHE . 2.0 pm0 -92.92 -31.18 15.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.7 ' O ' HD11 ' A' ' 10' ' ' LEU . 13.6 m-85 -97.73 35.55 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.766 ' HB3' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -127.73 8.37 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.271 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.14 -164.1 40.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.416 HG22 ' H ' ' A' ' 18' ' ' ILE . 8.3 p -124.13 167.25 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.68 HD12 ' CG2' ' A' ' 40' ' ' ILE . 26.8 mm -99.63 141.0 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -113.79 -32.85 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HD3' ' CE2' ' A' ' 111' ' ' TRP . 8.2 tttp -162.71 141.37 8.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.646 ' HG2' HG23 ' A' ' 40' ' ' ILE . 60.5 mt-30 -133.24 163.04 30.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.53 -178.66 31.19 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.563 1.165 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 90.3 m -105.34 148.9 26.56 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.49 ' C ' HD22 ' A' ' 25' ' ' LEU . 19.4 mt -141.76 164.34 30.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.8 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -104.33 99.75 9.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -89.75 110.57 21.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.77 169.27 14.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.28 -109.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.98 -60.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.572 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.71 -46.82 4.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 110.352 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.9 124.05 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -153.52 -168.87 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -101.22 121.47 41.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -49.9 116.39 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.017 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 8.9 mttt -113.75 142.78 45.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.786 HG22 HD11 ' A' ' 25' ' ' LEU . 24.1 t -83.73 140.04 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -156.86 149.27 23.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' O ' ' CA ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -79.49 137.86 37.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.71 ' CD2' HD11 ' A' ' 48' ' ' LEU . 9.0 m-85 -133.19 118.32 18.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.694 HD12 ' CE1' ' A' ' 51' ' ' TYR . 68.2 mt -114.19 131.57 65.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.502 HD11 HD13 ' A' ' 65' ' ' LEU . 23.5 tp -107.74 136.14 47.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' HA ' ' CD1' ' A' ' 19' ' ' ILE . 1.5 ptm180 -139.46 124.7 18.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -100.0 142.78 31.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.338 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.523 ' N ' ' C ' ' A' ' 45' ' ' PRO . 7.0 t0 57.77 75.93 0.51 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.523 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.01 169.66 73.97 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.007 0.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.81 96.45 9.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -144.81 162.09 37.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.922 HD12 HD12 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -130.75 110.69 11.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -105.56 136.37 45.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.601 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.519 ' CD1' ' HB2' ' A' ' 60' ' ' LEU . 28.2 p90 -127.97 120.02 26.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.694 ' CE1' HD12 ' A' ' 40' ' ' ILE . 6.0 m-85 -110.5 156.89 20.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 9.7 t70 -59.06 139.06 87.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.41 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -49.4 -34.95 17.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 152.49 148.03 4.75 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.408 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . . . 179.9 -173.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.774 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 82.6 mm-40 -136.03 -62.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -83.65 158.35 62.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.452 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.02 132.8 15.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.519 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 5.5 mt -57.22 -29.02 63.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -178.49 -174.86 45.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.07 151.52 47.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 0.733 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.922 HD12 HD12 ' A' ' 48' ' ' LEU . 10.4 mt -128.32 116.46 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.637 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 8.8 t60 -60.91 128.04 34.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.569 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.502 HD13 HD11 ' A' ' 41' ' ' LEU . 86.8 mt -111.96 -15.7 13.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.637 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.3 OUTLIER -44.73 -62.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.86 48.72 0.91 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 15.4 p -95.56 176.72 6.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.2 t -138.48 145.85 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.978 HG11 HG23 ' A' ' 112' ' ' ILE . 36.0 t -111.04 139.91 32.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.497 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -158.56 174.17 15.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.22 158.52 21.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.731 HG13 ' HA ' ' A' ' 88' ' ' PHE . 13.4 m -92.83 -161.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -134.96 75.65 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.5 m -103.1 136.68 42.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -126.8 118.63 25.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 t -177.82 160.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 t30 177.12 142.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.99 -170.52 25.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.091 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.59 -66.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 130.89 45.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.32 82.77 1.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.42 -53.99 20.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -138.41 121.96 17.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -74.12 -147.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -86.58 113.78 22.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.568 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -124.88 166.71 15.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.345 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.731 ' HA ' HG13 ' A' ' 73' ' ' VAL . 13.3 p90 -154.62 150.94 28.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.497 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 11.6 tt0 -99.96 139.81 35.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.549 ' CD1' HD13 ' A' ' 115' ' ' ILE . 98.8 mt -132.32 105.82 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.471 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.5 mt -83.95 146.4 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.525 HG21 HG23 ' A' ' 63' ' ' ILE . 73.4 p -111.26 175.05 5.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.35 -20.51 55.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.785 ' HB3' HG23 ' A' ' 96' ' ' VAL . 13.4 t70 -91.91 -1.5 57.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.6 mt-10 80.58 1.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.785 HG23 ' HB3' ' A' ' 94' ' ' ASP . 47.7 t -61.54 132.13 26.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 8.1 m-70 -105.62 146.07 30.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.558 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -140.91 133.71 28.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -109.15 109.41 20.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.687 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -113.01 132.38 55.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.477 ' HB3' HD23 ' A' ' 25' ' ' LEU . 0.9 OUTLIER -97.33 123.82 41.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.65 ' HB3' ' HB2' ' A' ' 108' ' ' ARG . . . -94.78 132.22 39.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.66 -61.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.7 p -106.83 167.88 8.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.457 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.23 21.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -77.85 -48.62 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.424 ' HG3' ' CD1' ' A' ' 111' ' ' TRP . 1.7 tp10 -58.17 -49.52 76.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.65 ' HB2' ' HB3' ' A' ' 102' ' ' ALA . 2.3 tmm_? -47.55 -42.68 24.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -73.8 -38.73 64.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.375 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 114' ' ' ALA . 10.4 mt-10 -63.76 -52.0 62.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.607 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 11.6 m95 -48.88 -60.74 2.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 107.96 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.978 HG23 HG11 ' A' ' 70' ' ' VAL . 1.2 mt -40.02 -61.78 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.442 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -57.38 -36.3 71.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -57.95 -54.72 43.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.549 HD13 ' CD1' ' A' ' 90' ' ' ILE . 1.9 mp -60.14 -43.08 92.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.751 ' HG2' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -57.9 -48.88 78.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -51.49 -45.23 62.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.488 ' O ' HG22 ' A' ' 121' ' ' THR . . . -72.27 -64.85 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.0 p -45.43 -34.26 3.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.033 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 121' ' ' THR . 17.8 mmt180 -61.58 -44.7 96.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 118' ' ' ALA . 1.9 t -38.91 146.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.401 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -81.45 -75.04 1.13 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.33 98.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.743 . . . . 0.0 109.266 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.47 -56.0 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -149.64 -145.34 4.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.102 . . . . 0.0 111.039 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 131.02 13.81 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.3 t -84.7 144.31 28.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.23 156.35 25.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.039 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.454 1.096 . . . . 0.0 111.024 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.27 83.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -108.12 125.69 51.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.15 100.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -130.48 110.9 11.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -86.23 151.06 23.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.57 -106.84 0.23 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.103 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.2 t -133.75 151.89 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.45 ' HA ' HD13 ' A' ' 9' ' ' ILE . 3.5 mm -40.53 156.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 11' ' ' LYS . 1.5 tm? -122.69 110.27 15.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.51 ' O ' HD13 ' A' ' 10' ' ' LEU . 20.3 mttt -56.73 -169.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -110.22 -38.56 5.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -69.6 -13.28 62.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 42' ' ' ARG . 20.6 m-30 -110.64 13.9 22.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.48 ' CD ' HD12 ' A' ' 10' ' ' LEU . 18.6 mmm180 -72.23 75.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.7 -154.94 25.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p -129.21 158.46 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 4.8 mt -83.9 160.04 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.766 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -119.2 -40.11 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HZ1' ' HB3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -156.46 131.98 9.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.436 ' NE2' HD13 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -152.33 158.9 43.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.73 -115.96 0.55 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.438 ' O ' HD23 ' A' ' 24' ' ' LEU . 1.7 p -148.17 136.1 21.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.501 HD11 ' CD1' ' A' ' 111' ' ' TRP . 18.0 mt -136.58 162.34 33.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.869 HD11 HG22 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -104.31 99.53 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -85.7 128.22 34.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -90.74 -177.81 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 148.83 -156.2 26.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.132 . . . . 0.0 111.044 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.71 57.26 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.624 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.416 ' NH2' ' HD2' ' A' ' 35' ' ' LYS . 4.2 mmm180 -109.23 -20.72 12.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 65.63 -178.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp 48.53 -172.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -50.45 177.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.566 ' HH2' HD13 ' A' ' 87' ' ' LEU . 7.3 m0 -75.72 171.16 14.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HD2' ' NH2' ' A' ' 30' ' ' ARG . 10.6 mmtt -123.57 117.46 25.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.869 HG22 HD11 ' A' ' 25' ' ' LEU . 42.6 t -61.21 145.77 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.35 144.72 22.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -86.29 102.36 13.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.828 ' CD2' HD11 ' A' ' 48' ' ' LEU . 12.2 m-85 -96.29 118.27 32.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.924 HD12 ' CE1' ' A' ' 51' ' ' TYR . 21.6 mt -111.04 128.25 67.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 18' ' ' ILE . 16.2 tp -108.32 137.19 46.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.409 ' CZ ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -142.87 130.26 21.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 110.261 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.766 ' HG2' HD12 ' A' ' 19' ' ' ILE . 1.4 pt-20 -100.32 141.01 33.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.511 ' N ' ' C ' ' A' ' 45' ' ' PRO . 4.8 m-20 58.42 76.76 0.44 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.511 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.05 170.16 72.61 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.984 0.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.697 ' HB2' HG22 ' A' ' 121' ' ' THR . . . -98.84 96.08 7.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -144.66 163.38 34.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.955 HD12 HD12 ' A' ' 63' ' ' ILE . 1.3 tm? -129.54 111.67 12.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -102.47 139.25 38.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.562 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 21.6 p90 -127.31 120.07 27.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.924 ' CE1' HD12 ' A' ' 40' ' ' ILE . 17.5 m-85 -107.65 175.71 5.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 3.1 t70 -91.31 145.43 31.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -50.88 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.466 1.771 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.449 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -43.36 -42.92 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 148.19 144.46 3.98 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 111.029 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -167.76 169.2 11.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.83 -60.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.38 166.17 12.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 134.0 17.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.417 1.746 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.58 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 3.5 mt -45.34 -29.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.51 -156.79 24.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -148.52 159.23 44.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 0.752 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.955 HD12 HD12 ' A' ' 48' ' ' LEU . 42.7 mt -123.86 123.09 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.629 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 22.7 t60 -63.17 123.35 18.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.558 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 48' ' ' LEU . 80.9 mt -109.99 -14.85 14.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.629 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 9.7 ttt180 -37.54 -66.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -119.46 49.54 0.87 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.428 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 19.8 p -90.46 166.95 12.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.5 t -123.35 152.3 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.03 HG11 HG23 ' A' ' 112' ' ' ILE . 32.0 t -119.24 138.08 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -157.9 157.91 34.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.86 146.31 28.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.001 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.861 HG13 ' HA ' ' A' ' 88' ' ' PHE . 14.2 m -81.01 -156.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -117.21 -61.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.3 t 54.21 -174.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.977 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 53.54 -171.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 m 54.02 93.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -167.02 -50.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.47 69.24 1.0 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.41 169.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 0.725 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.85 175.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.43 99.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -84.26 -59.23 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -140.97 124.72 16.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.18 -167.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -75.78 111.02 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.655 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -118.31 173.53 6.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.861 ' HA ' HG13 ' A' ' 73' ' ' VAL . 23.8 p90 -157.51 147.53 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.484 ' OE1' HD11 ' A' ' 91' ' ' ILE . 12.3 tt0 -100.06 138.67 36.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.818 ' CD1' HD13 ' A' ' 115' ' ' ILE . 98.2 mt -131.16 104.37 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.484 HD11 ' OE1' ' A' ' 89' ' ' GLU . 3.0 mt -81.16 141.31 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.624 HG21 HG23 ' A' ' 63' ' ' ILE . 72.6 p -106.97 174.67 5.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.403 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.25 -17.96 23.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.857 ' HB3' HG23 ' A' ' 96' ' ' VAL . 11.9 t70 -93.97 -1.53 54.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.496 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 79.28 3.08 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.857 HG23 ' HB3' ' A' ' 94' ' ' ASP . 40.2 t -63.94 127.85 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.496 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.7 m-70 -100.37 133.3 44.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.576 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -125.94 124.47 40.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 111.054 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -104.38 107.79 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.608 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -110.9 145.07 38.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.541 ' HB2' HD22 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -106.25 126.93 52.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.26 148.71 21.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -58.75 5.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.41 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 31.3 p -102.37 162.27 20.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.398 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.5 Cg_endo -75.01 -5.75 17.18 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.445 1.76 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -93.38 -30.48 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.42 ' OE1' ' CE ' ' A' ' 20' ' ' LYS . 3.4 tp10 -67.18 -56.12 11.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.884 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -38.5 -43.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -72.13 -49.04 39.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.361 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.513 ' HB3' ' HZ1' ' A' ' 20' ' ' LYS . 6.7 mt-10 -53.05 -57.3 10.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.651 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 1.5 m95 -42.65 -59.55 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 108.009 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.03 HG23 HG11 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -40.88 -64.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.497 ' N ' HG22 ' A' ' 112' ' ' ILE . 12.8 mttt -55.34 -33.19 63.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -61.53 -54.25 45.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.818 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.7 mt -61.98 -47.07 94.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.915 ' HG2' HG21 ' A' ' 70' ' ' VAL . 3.2 mt-30 -53.91 -49.32 68.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.438 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.6 OUTLIER -50.6 -49.14 57.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.438 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -68.25 -57.38 6.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 82.2 p -49.38 -34.04 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -62.94 -29.41 70.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.697 HG22 ' HB2' ' A' ' 46' ' ' ALA . 69.5 p 40.76 -161.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.21 -30.95 39.85 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? 78.72 -72.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.757 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.55 -70.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 178.92 -168.41 39.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 146.63 32.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.73 160.38 15.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 77.3 p -101.23 -16.98 16.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.05 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.5 m 60.47 154.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 m 64.98 127.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.88 -120.21 1.79 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.61 122.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 0.743 . . . . 0.0 110.025 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 m -104.91 163.8 12.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.73 -55.15 0.34 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -140.26 172.65 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.491 HD13 ' HA ' ' A' ' 9' ' ' ILE . 4.1 mm -50.22 155.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.754 HD13 ' N ' ' A' ' 11' ' ' LYS . 1.1 tm? -107.9 126.25 52.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.754 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -70.24 112.81 6.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.08 -38.35 17.31 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -31.22 69.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.346 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CZ ' ' HE3' ' A' ' 11' ' ' LYS . 5.3 m-30 -79.35 -17.3 54.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.423 ' HD3' HD12 ' A' ' 10' ' ' LEU . 16.5 mmm180 -50.38 -44.53 54.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 15' ' ' ARG . . . -58.27 -153.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -135.9 169.8 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.74 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 19' ' ' ILE . 22.4 mt -95.49 168.33 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.548 ' N ' HG22 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -140.88 -44.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HG2' ' CZ2' ' A' ' 111' ' ' TRP . 36.0 tttt -137.74 149.45 46.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.554 ' HG2' HG23 ' A' ' 40' ' ' ILE . 40.5 mt-30 -153.07 160.09 42.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.248 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.68 -162.63 30.07 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.7 m -114.17 144.04 43.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.572 ' C ' HD22 ' A' ' 25' ' ' LEU . 56.8 mt -139.27 167.31 22.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.821 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -107.41 99.2 8.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -88.5 128.39 35.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.38 134.49 33.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.32 -64.86 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.45 -176.82 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.787 . . . . 0.0 109.555 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.59 -43.61 4.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 154.39 27.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.01 173.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -81.96 -173.19 4.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -67.86 171.99 5.96 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -123.43 157.65 32.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.481 HG22 HD11 ' A' ' 25' ' ' LEU . 3.4 t -104.0 130.1 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -145.5 152.31 39.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -83.88 139.9 32.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.565 ' CD1' HD11 ' A' ' 48' ' ' LEU . 11.8 m-85 -132.08 127.32 35.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.807 HD12 ' CE1' ' A' ' 51' ' ' TYR . 62.0 mt -121.36 129.52 75.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 tp -108.18 135.0 50.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -134.56 128.8 33.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.477 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -104.24 138.79 40.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.517 ' N ' ' C ' ' A' ' 45' ' ' PRO . 2.0 t70 55.2 76.28 0.52 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.517 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.0 170.45 71.83 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.005 -0.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.53 ' HB2' HG22 ' A' ' 121' ' ' THR . . . -98.87 96.33 7.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.698 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 11.4 m-85 -144.47 153.3 41.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.976 HD12 HD12 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -124.57 111.52 15.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.876 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 76.2 m80 -105.57 143.93 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.595 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.489 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 6.2 p90 -129.67 133.46 47.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.807 ' CE1' HD12 ' A' ' 40' ' ' ILE . 11.4 m-85 -119.64 161.17 21.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.447 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 14.3 t70 -71.92 137.84 82.38 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -48.07 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.447 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -48.51 -27.45 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.85 149.38 5.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . . . -179.01 -171.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -130.61 -67.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.41 158.94 54.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.2 22.68 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.454 1.765 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 2.2 mt -60.0 -16.17 28.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 162.56 -157.17 29.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.538 1.149 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.876 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -161.55 149.52 15.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.976 HD12 HD12 ' A' ' 48' ' ' LEU . 17.3 mt -113.09 116.87 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.698 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 3.5 t-160 -63.49 135.11 56.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.571 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.8 mt -122.25 8.65 9.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.464 ' HD3' ' CE1' ' A' ' 64' ' ' HIS . 23.1 ptt180 -46.53 -25.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 66' ' ' ARG . . . -169.17 37.16 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.4 p -72.26 169.19 16.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.8 t -121.13 147.28 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.943 HG11 HG23 ' A' ' 112' ' ' ILE . 25.6 t -117.61 139.17 45.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.02 167.27 30.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.429 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.54 149.75 28.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.772 HG13 ' HA ' ' A' ' 88' ' ' PHE . 35.7 m -76.55 174.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 74' ' ' GLU . 1.0 OUTLIER -110.62 36.37 3.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.5 t -39.18 148.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -86.12 -66.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.8 100.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 178.96 108.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 101.92 167.2 27.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -61.16 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -47.66 100.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 77.7 p -85.56 101.82 13.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.979 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -64.32 -66.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.704 ' HB3' HD11 ' A' ' 87' ' ' LEU . 20.7 mt-10 -138.43 123.84 19.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -66.74 -147.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -82.15 111.16 18.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.704 HD11 ' HB3' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -130.48 176.17 8.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.772 ' HA ' HG13 ' A' ' 73' ' ' VAL . 16.5 p90 -161.21 146.82 14.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -99.83 128.78 45.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.599 ' CD1' HD13 ' A' ' 115' ' ' ILE . 87.1 mt -121.37 104.41 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.5 mt -81.05 142.86 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.485 HG21 HG23 ' A' ' 63' ' ' ILE . 82.2 p -105.07 177.81 4.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.29 -15.85 58.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.88 ' HB3' HG23 ' A' ' 96' ' ' VAL . 12.3 t0 -96.57 -1.38 47.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.583 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.3 mt-10 83.11 -2.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.88 HG23 ' HB3' ' A' ' 94' ' ' ASP . 46.7 t -59.97 131.37 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 7.4 m-70 -104.54 147.75 27.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.442 ' CE2' HG12 ' A' ' 96' ' ' VAL . 56.9 m-85 -143.06 123.37 13.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -102.13 107.9 19.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.9 OUTLIER -110.33 132.41 54.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.635 ' HG3' HD23 ' A' ' 87' ' ' LEU . 1.8 tt0 -97.08 135.8 38.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.557 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -103.67 154.48 19.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.18 -57.68 5.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.413 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 26.7 p -101.08 162.48 20.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.362 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -74.96 -6.32 17.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.5 -36.02 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.557 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 0.6 OUTLIER -61.79 -46.96 87.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.34 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.717 ' O ' HD12 ' A' ' 112' ' ' ILE . 6.4 tmm_? -50.13 -43.89 52.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.25 -51.25 32.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.0 mt-10 -50.97 -58.52 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.717 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 11.8 m95 -41.71 -58.63 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 107.998 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.943 HG23 HG11 ' A' ' 70' ' ' VAL . 1.6 mt -43.41 -67.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.491 ' N ' HG22 ' A' ' 112' ' ' ILE . 7.7 mtmt -54.5 -23.75 17.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -73.17 -58.65 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.599 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.0 mt -55.35 -38.86 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.671 ' HG2' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -61.21 -57.13 13.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.49 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -40.73 -42.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -76.05 -48.97 18.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.868 ' O ' HG23 ' A' ' 121' ' ' THR . 52.4 p -50.15 -38.83 41.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 116' ' ' GLN . 0.3 OUTLIER -59.33 -15.13 14.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.868 HG23 ' O ' ' A' ' 119' ' ' SER . 51.0 p 38.3 -156.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.447 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -135.57 25.63 3.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -129.34 85.54 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.6 p -165.5 137.8 4.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 68.05 153.29 0.43 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -56.82 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.54 1.811 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.4 m -59.4 95.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.9 t -153.01 131.73 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.24 -59.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.76 . . . . 0.0 109.992 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t 63.19 161.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.54 -111.86 0.5 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 t 60.19 103.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -125.21 -63.87 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.25 -65.31 2.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.26 156.47 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.434 HD13 ' HA ' ' A' ' 9' ' ' ILE . 3.0 mm -52.21 155.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.826 HD12 ' HG2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -83.89 123.49 29.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -73.76 155.85 38.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.439 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 5.0 mt-10 -78.89 -11.63 60.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -98.58 -6.47 29.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.437 ' HA ' ' NH1' ' A' ' 42' ' ' ARG . 13.7 m-30 -107.56 -36.74 6.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.826 ' HG2' HD12 ' A' ' 10' ' ' LEU . 5.8 mtm-85 -36.63 -34.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 14' ' ' PHE . . . -60.25 -157.19 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -132.59 169.37 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 23.7 mt -99.48 165.69 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.49 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -132.1 -43.56 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -146.52 149.55 33.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.497 ' HG2' HG23 ' A' ' 40' ' ' ILE . 32.5 mt-30 -149.81 160.48 43.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.47 -171.9 34.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 92.6 m -106.66 147.15 29.89 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.555 ' C ' HD22 ' A' ' 25' ' ' LEU . 60.4 mt -141.94 170.63 15.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.861 ' CD1' HG22 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -108.91 99.47 8.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 8.1 tttt -82.01 114.44 20.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.519 ' HG3' ' CD2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -115.59 156.61 25.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.18 77.26 1.26 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -178.1 -57.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 0.742 . . . . 0.0 109.561 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.33 -22.69 14.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 50.32 80.36 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.9 73.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 m120 65.1 130.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.519 ' CD2' ' HG3' ' A' ' 27' ' ' GLN . 50.2 m95 -44.15 147.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -125.52 123.49 39.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.861 HG22 ' CD1' ' A' ' 25' ' ' LEU . 36.9 t -67.73 142.43 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -156.75 150.57 24.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.311 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 13.2 tttt -85.64 138.99 31.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.563 ' CD2' HD11 ' A' ' 48' ' ' LEU . 8.3 m-85 -131.83 118.7 20.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.833 HD12 ' CE1' ' A' ' 51' ' ' TYR . 81.6 mt -112.95 129.88 67.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.9 tp -107.73 137.58 45.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.437 ' NH1' ' HA ' ' A' ' 14' ' ' PHE . 36.9 mtp180 -140.39 126.11 19.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.486 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -104.22 140.86 37.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.53 ' N ' ' C ' ' A' ' 45' ' ' PRO . 2.1 t70 54.95 75.74 0.58 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.53 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.96 169.46 74.48 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.001 -0.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.48 ' HB1' ' HB2' ' A' ' 65' ' ' LEU . . . -98.1 97.8 9.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.426 ' N ' HD12 ' A' ' 65' ' ' LEU . 10.6 m-85 -147.77 147.86 30.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.991 ' CD1' HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -118.46 113.89 22.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -107.62 132.95 52.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.607 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.416 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 19.6 p90 -124.02 127.85 48.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.833 ' CE1' HD12 ' A' ' 40' ' ' ILE . 9.2 m-85 -114.93 169.59 8.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 10.6 t70 -75.73 141.87 72.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.4 ' HG3' HG12 ' A' ' 36' ' ' VAL . 18.5 Cg_endo -74.94 -46.59 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.782 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.407 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -47.64 -36.89 11.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.6 146.27 4.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -175.31 178.59 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.357 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -119.04 -59.56 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.72 158.95 34.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.523 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.03 133.53 16.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.561 1.821 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.74 -35.76 56.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -172.73 -170.01 35.98 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.483 1.114 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.74 164.68 29.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.357 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.991 HD12 ' CD1' ' A' ' 48' ' ' LEU . 37.5 mt -130.74 106.11 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.408 ' NE2' ' HB2' ' A' ' 66' ' ' ARG . 5.0 t-160 -54.81 130.97 42.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.606 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.48 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 23.3 mt -113.83 8.5 17.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.408 ' HB2' ' NE2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -53.48 -61.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.247 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.29 30.72 3.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 20.8 p -64.31 177.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.6 t -140.45 142.83 30.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.062 HG11 HG23 ' A' ' 112' ' ' ILE . 37.9 t -113.06 137.71 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 72' ' ' SER . 0.6 OUTLIER -149.93 174.6 12.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.373 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.432 ' N ' HG23 ' A' ' 71' ' ' THR . 0.1 OUTLIER -119.52 134.4 55.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.762 HG13 ' HA ' ' A' ' 88' ' ' PHE . 33.8 m -65.66 178.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -111.58 32.68 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.404 ' H ' HG23 ' A' ' 73' ' ' VAL . 1.6 m -67.17 158.64 30.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.22 160.63 18.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 m -145.55 158.65 43.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.6 t30 170.89 -55.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.71 51.69 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 177.47 -57.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -95.97 23.7 6.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 84' ' ' GLU . 0.4 OUTLIER -47.0 -63.13 1.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 68.3 -61.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.731 ' HB3' HD11 ' A' ' 87' ' ' LEU . 7.9 mt-10 -132.25 117.62 18.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.474 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 1.2 mt-10 -56.31 -166.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -71.63 110.05 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.731 HD11 ' HB3' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -125.7 178.02 5.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.762 ' HA ' HG13 ' A' ' 73' ' ' VAL . 14.8 p90 -159.71 149.27 18.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -101.87 127.62 48.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 88.8 mt -119.7 108.88 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 2.7 mt -85.38 141.07 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.692 HG22 HG23 ' A' ' 63' ' ' ILE . 32.3 p -102.74 -173.57 2.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.41 -16.71 62.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 1.3 m-20 -95.2 -1.5 51.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.8 mt-10 83.22 -1.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.432 HG23 ' CB ' ' A' ' 94' ' ' ASP . 33.3 t -58.45 133.53 23.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 9.4 m-70 -107.98 141.13 40.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.64 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -136.51 133.66 36.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -111.56 107.56 16.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.498 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -110.34 134.06 52.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.496 ' HB3' HD23 ' A' ' 25' ' ' LEU . 1.2 tt0 -96.2 131.06 43.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.83 145.06 25.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.62 -55.83 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 1.8 p -104.21 164.52 15.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -74.98 -19.58 17.76 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.464 1.771 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -79.43 -41.4 27.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.0 -54.87 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.677 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.7 OUTLIER -41.28 -43.96 2.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -72.45 -42.36 65.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.2 mt-10 -59.93 -59.5 5.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.775 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 3.2 m95 -41.84 -58.45 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.062 HG23 HG11 ' A' ' 70' ' ' VAL . 2.3 mt -42.89 -67.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -54.67 -24.38 21.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -69.24 -60.77 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.3 -36.25 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.796 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.5 mt-30 -63.47 -52.03 63.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.49 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -46.86 -41.51 15.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -74.53 -62.13 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 98.6 p -48.07 -29.6 3.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 116' ' ' GLN . 17.1 mmt85 -59.24 -31.03 68.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.2 p 44.44 -167.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -130.64 30.29 3.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt 61.71 150.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 109.344 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.12 136.42 42.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -133.57 -145.46 5.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 69.7 5.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.561 1.821 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.9 m -147.91 109.63 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 15.3 m -126.89 88.87 2.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -130.79 -58.89 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.763 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.44 -57.76 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.57 -144.75 36.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -174.51 132.57 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 109.97 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.5 p -146.51 170.23 17.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.59 71.0 0.61 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.499 HG22 ' H ' ' A' ' 9' ' ' ILE . 11.0 p -137.13 170.35 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.648 ' H ' HD12 ' A' ' 9' ' ' ILE . 3.1 mp -66.85 171.89 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 11' ' ' LYS . 2.4 tm? -129.14 112.01 13.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.645 ' O ' HD13 ' A' ' 10' ' ' LEU . 6.4 mttt -52.87 -174.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.458 ' HA ' ' HG2' ' A' ' 15' ' ' ARG . 1.6 mm-40 -101.81 -33.31 9.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.568 ' HG2' ' CD2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -74.81 -22.66 58.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CD2' ' HG2' ' A' ' 13' ' ' GLU . 97.9 m-85 -106.14 25.75 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.458 ' HG2' ' HA ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -113.8 -18.5 11.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.88 -153.78 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.43 HG22 ' H ' ' A' ' 18' ' ' ILE . 9.2 p -125.28 167.84 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.77 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 19' ' ' ILE . 34.9 mt -106.57 166.91 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.513 ' N ' HG22 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -135.64 -43.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -140.84 151.5 44.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.588 ' HG2' HG23 ' A' ' 40' ' ' ILE . 45.2 mt-30 -150.32 155.86 40.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.97 -168.7 34.55 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.438 1.086 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.2 p -119.79 137.15 54.14 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.567 HD11 ' CE2' ' A' ' 111' ' ' TRP . 70.0 mt -126.63 176.26 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.847 ' CD1' HG22 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -109.52 99.28 8.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 7.0 tttm -83.25 125.59 31.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.4 ' NE2' ' CZ2' ' A' ' 34' ' ' TRP . 4.4 mt-30 -88.8 148.86 23.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.04 -143.32 14.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -112.39 -36.41 5.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.581 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -64.86 -34.85 79.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 54.34 98.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.79 -56.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -144.86 127.3 15.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.4 ' CZ2' ' NE2' ' A' ' 27' ' ' GLN . 55.1 m95 -57.24 143.31 39.87 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.25 132.37 54.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.847 HG22 ' CD1' ' A' ' 25' ' ' LEU . 38.7 t -75.06 145.58 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -157.96 150.23 22.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -82.31 143.17 31.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.515 ' CD1' HD11 ' A' ' 48' ' ' LEU . 8.2 m-85 -141.04 118.86 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.75 ' O ' HD22 ' A' ' 48' ' ' LEU . 74.7 mt -116.24 131.76 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.412 HD21 ' O ' ' A' ' 114' ' ' ALA . 32.5 tp -107.96 137.9 45.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' NH1' ' ND1' ' A' ' 49' ' ' HIS . 16.3 mtt85 -138.73 124.25 19.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.239 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -102.89 136.27 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.521 ' N ' ' C ' ' A' ' 45' ' ' PRO . 13.4 t0 58.28 76.29 0.47 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.521 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.1 Cg_endo -75.03 170.48 71.73 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.978 0.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.578 ' HB1' ' HB2' ' A' ' 65' ' ' LEU . . . -98.11 95.96 7.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.497 ' N ' HD12 ' A' ' 65' ' ' LEU . 9.2 m-85 -145.69 144.16 30.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.933 HD12 HD12 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -116.81 112.51 21.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 77.6 m80 -105.88 138.04 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.595 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 24.7 p90 -129.13 123.5 32.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.728 ' CE1' HD12 ' A' ' 40' ' ' ILE . 27.2 m-85 -107.03 169.07 8.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.601 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 20.9 t70 -75.28 142.67 75.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -47.49 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.601 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -46.5 -32.02 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 136.36 149.83 5.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 179.91 -169.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -129.96 -57.36 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.1 p-10 -90.24 155.51 46.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 151.12 38.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.503 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 1.5 mt -72.03 -9.59 58.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 155.68 -174.48 33.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.581 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -139.4 146.86 40.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.933 HD12 HD12 ' A' ' 48' ' ' LEU . 9.4 mt -112.64 110.63 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 6.8 t-160 -54.65 135.46 46.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.574 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.578 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 37.4 mt -117.06 13.66 14.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -55.43 -63.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.29 39.41 1.9 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 31.4 p -74.22 174.8 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.3 t -135.35 148.33 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.362 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.893 HG11 HG23 ' A' ' 112' ' ' ILE . 25.4 t -115.33 140.1 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.493 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.2 t -158.85 175.54 13.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.431 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.53 160.53 20.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.501 HG13 ' CA ' ' A' ' 88' ' ' PHE . 20.2 m -80.53 -161.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -120.86 -41.86 2.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 t 39.81 76.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.948 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.07 101.65 11.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.0 p -168.51 141.19 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -79.43 143.36 35.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.59 77.1 0.2 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.541 1.15 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -134.24 -64.91 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 110.276 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.34 163.43 12.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.86 136.21 33.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -150.41 -58.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -143.82 126.44 16.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -77.45 -146.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.45 ' C ' HD23 ' A' ' 87' ' ' LEU . 26.0 m120 -83.35 126.66 32.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.483 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -134.01 178.68 6.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 15.6 p90 -165.32 145.39 6.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.595 ' OE2' ' CZ ' ' A' ' 99' ' ' PHE . 16.4 tt0 -99.83 136.72 39.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.682 ' CD1' HD13 ' A' ' 115' ' ' ILE . 87.9 mt -127.84 110.65 22.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.405 HG12 ' ND1' ' A' ' 97' ' ' HIS . 2.8 mt -88.48 143.23 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.486 HG21 HG23 ' A' ' 63' ' ' ILE . 32.7 p -107.13 -179.06 3.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 110.358 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -14.86 61.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.748 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -95.94 -2.18 47.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.561 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.3 mt-10 80.1 2.26 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.748 HG23 ' HB3' ' A' ' 94' ' ' ASP . 42.1 t -64.76 132.11 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.561 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.6 m-70 -104.88 143.56 32.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.577 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -138.82 123.97 19.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.595 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 59.2 m-85 -100.43 107.65 19.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -112.78 131.58 55.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.532 ' HB3' HD23 ' A' ' 25' ' ' LEU . 4.9 tt0 -93.79 133.54 37.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.356 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.615 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -101.28 131.24 47.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.69 -66.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.4 p -101.67 166.75 11.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.44 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -8.85 20.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -43.46 14.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.615 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -60.28 -45.86 91.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.618 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -48.32 -42.57 31.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -73.99 -40.94 62.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 114' ' ' ALA . 12.0 mt-10 -60.99 -54.84 39.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.652 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 13.0 m95 -45.51 -61.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 108.001 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.893 HG23 HG11 ' A' ' 70' ' ' VAL . 2.2 mt -40.75 -65.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.467 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -53.39 -32.69 50.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -64.55 -53.81 42.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.682 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.8 mt -60.51 -44.53 96.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.671 ' HG2' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -57.61 -48.07 80.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -52.13 -46.1 65.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.45 -64.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.5 p -43.81 -36.98 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -69.35 -46.86 66.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 122' ' ' GLY . 0.0 OUTLIER 39.53 91.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 121' ' ' THR . . . -37.61 -44.35 1.28 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.99 -76.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 0.715 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.4 m -68.87 134.88 50.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -174.47 177.16 46.72 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.59 36.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.05 137.83 51.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 13.7 t -158.07 90.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.95 -60.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 110.048 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.55 121.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.78 -142.19 0.81 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 p -107.8 137.15 46.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.99 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -145.94 134.19 21.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.47 128.37 4.47 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.545 1.153 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.521 HG22 ' H ' ' A' ' 9' ' ' ILE . 7.3 p -142.81 170.51 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.521 ' H ' HG22 ' A' ' 8' ' ' VAL . 3.7 mm -42.44 153.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -109.94 94.62 5.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 18.5 mttt -61.62 -171.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -94.2 -43.56 8.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.564 ' HG3' ' CE1' ' A' ' 14' ' ' PHE . 1.9 pt-20 -60.96 -14.15 20.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CD1' ' NH1' ' A' ' 42' ' ' ARG . 17.6 m-30 -104.84 9.55 34.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -77.81 54.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.359 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.54 -177.33 36.32 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.4 p -110.33 168.29 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.498 HG21 ' CD ' ' A' ' 21' ' ' GLN . 16.9 mt -97.72 157.36 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.638 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -121.01 -40.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -152.81 137.69 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.498 ' CD ' HG21 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -159.44 158.2 31.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.85 -140.0 5.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 68.4 m -116.87 136.58 52.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.533 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 15.5 mt -138.97 152.6 47.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.781 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -97.39 99.79 11.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -83.77 113.89 21.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.477 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -103.43 113.7 27.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.48 173.87 29.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -45.73 -56.46 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 0.0 109.58 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.34 -32.91 57.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.348 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.28 96.75 8.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -45.49 72.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.3 164.04 27.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.477 ' CE2' ' HG3' ' A' ' 27' ' ' GLN . 94.2 m95 -48.49 126.69 11.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.046 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.35 120.88 27.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.761 HG22 HD11 ' A' ' 25' ' ' LEU . 34.9 t -57.2 136.02 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.72 151.64 31.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.611 ' HE2' HD11 ' A' ' 40' ' ' ILE . 7.4 tttt -86.72 131.0 34.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CD2' HD11 ' A' ' 48' ' ' LEU . 11.6 m-85 -128.53 118.92 23.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.955 HD12 ' CE1' ' A' ' 51' ' ' TYR . 20.5 mt -112.75 128.91 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.532 ' CD1' ' CD1' ' A' ' 65' ' ' LEU . 17.7 tp -108.47 138.7 44.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.57 ' NH1' ' CD1' ' A' ' 14' ' ' PHE . 6.9 ptp180 -142.11 126.68 17.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.638 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -100.23 140.45 34.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.502 ' N ' ' C ' ' A' ' 45' ' ' PRO . 14.9 t0 58.39 76.86 0.43 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.502 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.04 165.54 85.65 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.12 99.59 12.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -149.19 162.92 39.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.012 ' CD1' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -130.75 110.47 11.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -102.48 125.89 49.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.475 ' HB3' ' CD2' ' A' ' 39' ' ' PHE . 25.3 p90 -120.58 128.12 52.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.955 ' CE1' HD12 ' A' ' 40' ' ' ILE . 7.1 m-85 -115.04 169.67 8.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.675 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 22.4 t70 -80.43 143.33 55.41 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -41.85 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.675 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -52.67 -34.32 51.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.462 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 145.01 152.03 5.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 177.56 165.22 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -110.65 -57.3 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -90.92 156.26 44.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.553 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.02 128.56 11.56 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.466 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 3.7 mt -42.21 -30.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.14 -166.85 40.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -134.88 150.22 50.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.012 HD12 ' CD1' ' A' ' 48' ' ' LEU . 89.2 mt -118.53 108.3 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -51.94 124.81 13.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.62 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.539 HD22 HG23 ' A' ' 115' ' ' ILE . 99.2 mt -110.71 -23.36 11.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.23 -61.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -117.5 52.78 0.67 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 21.1 p -98.46 174.65 6.35 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -137.7 141.8 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.07 HG11 HG23 ' A' ' 112' ' ' ILE . 39.7 t -108.63 137.18 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -158.48 164.01 36.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.92 137.41 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.017 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 87' ' ' LEU . 24.9 m -65.66 -167.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -102.81 -60.0 1.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.9 p 44.54 73.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.034 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -156.17 160.15 39.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.97 -53.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -143.01 125.38 15.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.39 62.45 0.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.06 -61.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -58.79 166.91 1.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 84' ' ' GLU . 4.6 t -113.89 -58.87 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 65.99 -72.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.768 ' HB2' HD11 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -136.96 139.66 41.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.247 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -67.8 -142.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -82.36 110.1 17.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.768 HD11 ' HB2' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -119.72 163.42 17.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 25.1 p90 -149.54 147.77 28.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.517 ' OE2' ' CZ ' ' A' ' 99' ' ' PHE . 20.5 tt0 -103.15 134.12 47.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.664 ' CD1' HD13 ' A' ' 115' ' ' ILE . 74.8 mt -126.23 112.32 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.4 mt -89.73 144.4 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.662 HG21 HG23 ' A' ' 63' ' ' ILE . 29.8 p -105.98 -178.19 3.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.39 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.57 -9.75 51.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.826 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -101.74 -1.65 31.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.607 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.9 mt-10 81.55 1.91 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.826 HG23 ' HB3' ' A' ' 94' ' ' ASP . 37.3 t -62.34 132.06 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 10.8 m-70 -104.91 145.88 29.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.623 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -141.07 129.54 22.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.517 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 78.2 m-85 -106.98 106.52 17.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.7 OUTLIER -113.28 130.21 56.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.557 ' HG3' HD23 ' A' ' 87' ' ' LEU . 3.1 tt0 -94.04 131.53 39.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.663 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -100.06 123.84 44.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.9 -63.83 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 3.0 p -95.25 164.1 20.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.1 Cg_endo -75.02 -15.06 20.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -84.84 -37.51 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.663 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -60.1 -41.37 92.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.248 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.854 ' O ' HD12 ' A' ' 112' ' ' ILE . 6.9 tmm_? -56.64 -42.99 79.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -72.78 -41.01 65.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.5 mt-10 -60.84 -55.07 37.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.673 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 10.3 m95 -47.23 -59.78 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.07 HG23 HG11 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -41.9 -63.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.459 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -56.08 -31.71 63.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -62.87 -52.22 63.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.664 HD13 ' CD1' ' A' ' 90' ' ' ILE . 2.5 mp -62.39 -46.41 96.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.767 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.2 mt-30 -54.89 -49.72 70.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.444 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.4 OUTLIER -49.38 -48.55 46.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -70.6 -63.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 83.5 p -45.19 -32.48 1.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -61.58 -44.43 97.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.8 t -38.96 151.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -63.97 -68.34 1.7 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.35 81.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.3 p -107.32 135.51 48.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -84.79 158.78 33.87 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.451 1.094 . . . . 0.0 111.054 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.99 6.53 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.8 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.85 -58.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.31 107.98 20.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.65 -58.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.979 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 4' ' ' GLY . 37.7 m -144.79 -58.07 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -37.7 119.36 0.71 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -146.18 169.34 18.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.793 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 m -61.88 159.19 14.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.85 -152.47 13.11 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.8 t -111.01 156.44 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.48 ' HA ' HD13 ' A' ' 9' ' ' ILE . 4.0 mm -51.45 150.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.704 HD13 ' O ' ' A' ' 11' ' ' LYS . 3.1 tm? -132.62 117.72 18.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.377 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.704 ' O ' HD13 ' A' ' 10' ' ' LEU . 10.6 mtmt -50.08 177.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.404 ' HA ' ' HG2' ' A' ' 15' ' ' ARG . 1.0 OUTLIER -102.18 -17.88 15.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 110.302 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.556 ' HG2' ' CD2' ' A' ' 14' ' ' PHE . 3.6 pm0 -89.13 -10.07 48.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.556 ' CD2' ' HG2' ' A' ' 13' ' ' GLU . 67.6 m-85 -126.1 44.27 2.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 111.043 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.556 ' HB3' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -124.28 2.08 8.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.48 -148.49 22.0 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.547 HG22 ' H ' ' A' ' 18' ' ' ILE . 6.5 p -143.27 171.9 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.547 ' H ' HG22 ' A' ' 17' ' ' VAL . 23.0 mm -97.59 155.47 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.476 HG13 HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -124.71 -42.34 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.419 ' NZ ' ' OE1' ' A' ' 107' ' ' GLU . 10.6 tttt -151.13 142.59 23.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.437 ' NE2' HG21 ' A' ' 18' ' ' ILE . 35.5 mt-30 -142.35 141.43 32.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.086 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.42 -173.33 44.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.9 p -107.92 129.97 55.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 24' ' ' LEU . 10.4 mt -123.12 157.04 33.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.837 HD11 HG22 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -100.23 100.91 11.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.49 ' HG3' HD11 ' A' ' 100' ' ' LEU . 2.1 ttmt -88.15 116.48 26.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.56 176.0 3.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.06 70.08 1.16 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.82 -173.64 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.587 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' CD ' ' HB2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -87.46 -26.12 23.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' HB2' ' CD ' ' A' ' 30' ' ' ARG . 0.1 OUTLIER 175.23 -164.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 56.6 170.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -53.45 -174.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.463 ' CH2' HD22 ' A' ' 87' ' ' LEU . 11.5 m0 -65.71 168.48 7.67 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.31 121.49 42.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.837 HG22 HD11 ' A' ' 25' ' ' LEU . 33.5 t -63.07 138.52 22.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -148.41 138.69 22.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -80.65 124.04 28.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.644 ' CD2' HD11 ' A' ' 48' ' ' LEU . 6.9 m-85 -117.0 116.5 27.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.823 HD12 ' CE1' ' A' ' 51' ' ' TYR . 84.0 mt -108.53 127.75 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.476 HD23 HG13 ' A' ' 19' ' ' ILE . 19.1 tp -107.96 139.61 42.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -139.25 130.51 26.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' HG2' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -103.25 138.9 39.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.264 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.474 ' N ' ' C ' ' A' ' 45' ' ' PRO . 6.1 t70 54.96 77.99 0.41 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.474 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.99 172.07 64.9 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.057 -0.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.55 95.6 6.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.511 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 8.0 m-85 -142.24 168.39 19.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.058 HD12 HD12 ' A' ' 63' ' ' ILE . 1.3 tm? -133.02 110.26 10.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.458 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 34.7 m80 -106.6 116.03 31.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.602 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 31.3 p90 -106.16 119.97 40.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.823 ' CE1' HD12 ' A' ' 40' ' ' ILE . 13.1 m-85 -109.55 153.84 23.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.495 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -66.83 130.27 93.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -5.1 16.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 111.056 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.495 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -96.52 -4.09 42.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.578 ' O ' ' HB3' ' A' ' 56' ' ' ALA . . . 139.46 -124.19 2.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . 76.83 -58.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.789 . . . . 0.0 109.355 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 9.4 tt0 84.39 -55.84 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -75.66 152.76 85.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.474 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.03 115.1 4.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 2.9 mt -45.21 -34.18 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -172.15 -155.07 10.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -157.19 156.9 33.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.058 HD12 HD12 ' A' ' 48' ' ' LEU . 23.1 mt -128.43 108.23 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.511 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 5.0 t-160 -53.02 133.76 38.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.5 mt -118.95 9.46 11.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -65.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -120.8 33.53 4.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.8 p -69.1 175.13 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.0 t -139.71 146.63 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.93 HG11 HG23 ' A' ' 112' ' ' ILE . 33.9 t -113.19 138.74 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.401 HG22 ' HB3' ' A' ' 89' ' ' GLU . 0.4 OUTLIER -157.45 159.78 37.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.33 162.78 12.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.632 HG21 ' HB2' ' A' ' 87' ' ' LEU . 33.3 m -106.99 -173.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -91.4 -52.29 4.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 p 40.27 80.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.48 132.2 9.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.6 t -121.83 -55.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -165.68 -57.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 153.98 -66.5 0.32 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -47.65 -56.67 6.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 110.293 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.65 154.82 20.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.35 95.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -77.54 -48.06 17.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.498 ' CB ' HD11 ' A' ' 87' ' ' LEU . 2.5 mp0 -138.11 126.08 22.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.25 169.79 16.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 53.04 56.0 8.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' A' ' 101' ' ' GLN . 17.0 mt -107.45 170.96 7.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.713 ' CE1' HD23 ' A' ' 100' ' ' LEU . 7.3 p90 -169.9 145.42 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 90' ' ' ILE . 2.6 tt0 -99.61 140.95 33.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.805 HD13 HD13 ' A' ' 115' ' ' ILE . 6.2 mt -129.31 104.02 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.2 mt -82.84 135.21 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.675 HG21 HG23 ' A' ' 63' ' ' ILE . 73.4 p -98.51 -169.62 1.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.05 -20.62 60.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.671 ' HB3' HG23 ' A' ' 96' ' ' VAL . 1.1 m-20 -92.56 1.24 57.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.59 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.9 mt-10 80.65 0.05 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.671 HG23 ' HB3' ' A' ' 94' ' ' ASP . 40.9 t -60.14 132.28 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 1.9 m-70 -106.34 139.83 40.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.639 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -133.04 121.12 22.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.408 ' C ' HD22 ' A' ' 100' ' ' LEU . 5.6 m-85 -102.09 106.84 17.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.798 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -107.18 170.14 8.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.658 ' HA ' HD23 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -123.8 124.07 41.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.72 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -93.44 120.76 34.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.67 -57.64 3.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.41 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 71.2 p -101.33 162.81 19.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.407 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -74.96 -14.68 21.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.79 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.77 -33.16 21.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.72 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 1.4 tp10 -61.42 -50.28 73.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.878 ' O ' HD12 ' A' ' 112' ' ' ILE . 4.2 ttm180 -48.32 -45.23 34.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 m -71.19 -44.64 65.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.427 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 114' ' ' ALA . 7.9 mt-10 -58.56 -59.73 4.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.673 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 2.8 m95 -43.89 -61.01 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 107.981 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.93 HG23 HG11 ' A' ' 70' ' ' VAL . 1.4 mt -40.29 -66.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.497 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -54.38 -32.68 57.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -62.36 -55.01 32.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.805 HD13 HD13 ' A' ' 90' ' ' ILE . 3.1 mt -60.41 -48.75 87.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.726 ' HG2' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -51.62 -49.27 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.436 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -52.03 -47.82 64.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.436 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -66.75 -56.84 8.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.6 p -54.42 -28.73 45.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' GLN . 38.4 mmt180 -86.47 13.24 8.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 120' ' ' ARG . 0.5 OUTLIER -37.24 -38.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.391 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 57.6 71.55 0.73 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.4 77.66 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.8 t -110.21 95.89 5.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.01 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -170.34 157.13 28.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 59.01 5.08 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.36 105.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.1 m 70.5 -62.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.48 98.51 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 110.032 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.82 168.17 18.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.054 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.81 -102.38 0.32 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.69 99.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 p -136.04 141.76 44.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.25 -76.4 0.05 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.561 HG22 ' H ' ' A' ' 9' ' ' ILE . 9.8 p -137.79 171.99 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.781 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.561 ' H ' HG22 ' A' ' 8' ' ' VAL . 3.6 mm -52.42 148.4 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -128.91 144.73 51.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.52 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . 14.9 mtmt -82.23 -167.63 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -100.94 -51.02 3.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 110.261 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.581 ' HG2' ' CD1' ' A' ' 14' ' ' PHE . 5.5 pm0 -55.34 -18.42 6.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.581 ' CD1' ' HG2' ' A' ' 13' ' ' GLU . 69.9 m-85 -90.07 -30.1 17.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' PHE . 15.2 mmm180 -38.46 -33.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.77 -163.13 7.04 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -126.49 170.56 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.247 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.444 HG21 ' OE1' ' A' ' 21' ' ' GLN . 24.3 mt -99.44 160.52 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.532 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -124.9 -40.87 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HE3' ' CD1' ' A' ' 111' ' ' TRP . 9.2 tttm -156.44 130.84 8.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' OE1' HG21 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -148.6 159.83 43.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.44 -160.71 34.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 37' ' ' ARG . 18.6 p -95.53 148.49 22.45 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 24' ' ' LEU . 12.5 mt -151.41 155.25 38.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.8 HD11 HG22 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -98.24 99.28 10.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -90.26 116.75 28.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.35 157.66 19.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -119.55 -115.99 2.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -146.45 -60.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.76 . . . . 0.0 109.554 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -67.95 -42.37 81.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.55 130.13 45.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -71.96 -75.36 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.58 -171.73 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.404 ' CD1' ' N ' ' A' ' 34' ' ' TRP . 5.3 m0 -97.65 174.27 6.72 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -137.28 116.28 12.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.8 HG22 HD11 ' A' ' 25' ' ' LEU . 39.6 t -59.5 140.9 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 39.6 mtt180 -157.79 167.39 30.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 2.3 tttp -99.08 143.41 29.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CD2' HD11 ' A' ' 48' ' ' LEU . 13.0 m-85 -136.65 114.12 10.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.831 HD12 ' CE1' ' A' ' 51' ' ' TYR . 28.0 mt -107.76 129.63 61.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.414 HD21 ' O ' ' A' ' 114' ' ' ALA . 20.8 tp -109.14 137.92 46.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.52 ' CZ ' ' ND1' ' A' ' 49' ' ' HIS . 12.4 ptp180 -141.79 125.42 16.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.532 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -100.32 143.52 30.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.526 ' N ' ' C ' ' A' ' 45' ' ' PRO . 5.4 t0 52.08 76.11 0.57 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.526 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.94 170.05 72.85 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.049 -0.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.38 98.82 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -145.54 157.24 44.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.008 HD12 HD12 ' A' ' 63' ' ' ILE . 1.4 tm? -127.07 111.32 13.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.52 ' ND1' ' CZ ' ' A' ' 42' ' ' ARG . 76.3 m80 -107.24 136.41 47.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.584 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 53.1 p90 -126.13 121.68 33.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.831 ' CE1' HD12 ' A' ' 40' ' ' ILE . 2.6 m-85 -117.27 160.72 20.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.462 ' HB3' ' HB2' ' A' ' 56' ' ' ALA . 2.5 t70 -58.91 141.84 85.39 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.26 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.556 1.819 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.445 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -43.06 -37.35 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 150.27 141.38 3.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.462 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . . . -168.26 -171.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -140.27 -63.65 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -78.7 152.47 77.78 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 131.57 14.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 5.2 mt -63.25 -27.85 69.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -168.45 -159.16 13.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -167.2 128.74 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.008 HD12 HD12 ' A' ' 48' ' ' LEU . 5.6 mt -104.43 123.23 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.519 ' CG ' ' HG2' ' A' ' 66' ' ' ARG . 5.9 t-160 -72.61 132.99 44.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 mt -120.19 23.79 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.519 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 16.3 ptt180 -65.31 -24.3 67.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.45 31.7 0.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.7 p -67.76 167.16 13.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 t -120.22 150.4 22.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.01 HG11 HG23 ' A' ' 112' ' ' ILE . 25.3 t -117.03 138.48 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -157.61 168.23 27.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.45 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.46 ' N ' HG23 ' A' ' 71' ' ' THR . 0.3 OUTLIER -111.1 147.78 34.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 87' ' ' LEU . 28.7 m -68.77 -170.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -99.16 -23.3 15.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 t -51.86 120.92 5.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.046 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -165.07 116.93 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.5 p -166.63 129.16 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.05 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -89.08 94.76 10.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 110.92 -134.89 12.46 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 65.15 164.47 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 0.797 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -179.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 p -95.62 114.73 26.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -141.85 -62.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -134.66 119.9 18.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -83.54 -146.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -81.05 119.09 23.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.627 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -127.25 162.93 25.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 37.1 p90 -152.42 143.26 22.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.483 ' OE1' HD11 ' A' ' 91' ' ' ILE . 3.9 tt0 -99.91 138.75 36.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.795 HD13 HD13 ' A' ' 115' ' ' ILE . 76.8 mt -129.63 105.3 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.483 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.7 mt -82.71 144.77 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.0 p -109.13 178.14 4.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.443 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.97 -14.71 50.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.874 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -95.08 -5.12 45.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 6.0 mt-10 83.35 -1.44 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.874 HG23 ' HB3' ' A' ' 94' ' ' ASP . 42.7 t -61.08 132.62 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 7.5 m-70 -104.72 142.69 34.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.581 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -137.62 120.41 16.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -100.69 109.18 21.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.646 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -113.9 133.53 55.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.533 ' HG3' HD23 ' A' ' 87' ' ' LEU . 3.5 tt0 -96.46 129.07 43.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.745 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -98.91 125.24 44.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -39.73 -64.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.7 p -95.67 164.54 18.61 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.402 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -11.74 21.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.552 1.817 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -88.32 -30.04 19.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.745 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 1.3 tt0 -67.44 -39.34 85.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.787 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.7 OUTLIER -59.05 -45.08 91.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -68.84 -50.6 48.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.7 mt-10 -51.33 -55.93 15.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.719 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 9.3 m95 -44.01 -61.0 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.01 HG23 HG11 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -40.69 -67.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.523 ' N ' HG22 ' A' ' 112' ' ' ILE . 25.0 mtmt -52.25 -32.51 37.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -62.06 -55.05 33.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.795 HD13 HD13 ' A' ' 90' ' ' ILE . 2.5 mt -61.24 -47.47 93.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.766 ' HG2' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -54.01 -49.21 69.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.453 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -50.9 -47.65 60.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.488 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.02 -57.68 4.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.402 ' O ' HG23 ' A' ' 121' ' ' THR . 56.7 p -49.58 -30.47 8.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 123' ' ' LYS . 54.2 mmt-85 -63.86 -40.04 95.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' A' ' 118' ' ' ALA . 31.4 p 48.15 25.7 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.39 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.56 -31.94 7.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER 62.28 149.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.97 98.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 60.24 158.06 0.05 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.89 30.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.4 t -64.38 -38.18 90.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.52 -49.95 69.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 p -97.56 -57.55 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 0.712 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m 61.8 136.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.65 156.25 6.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 t -147.6 125.94 12.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 110.012 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.27 166.5 13.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.965 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.22 64.23 0.61 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 9' ' ' ILE . 12.9 p -137.23 162.38 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.504 ' HA ' HD13 ' A' ' 9' ' ' ILE . 3.6 mm -43.3 150.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.446 HD12 ' NE ' ' A' ' 15' ' ' ARG . 1.9 tm? -113.26 116.32 29.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 0.9 OUTLIER -55.14 -168.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.487 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 2.9 mm-40 -107.51 -46.87 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -63.96 -20.93 66.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.541 ' CD2' ' NH2' ' A' ' 42' ' ' ARG . 69.5 m-85 -93.2 -16.83 24.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.487 ' CG ' ' HA ' ' A' ' 12' ' ' GLU . 3.3 mmt180 -37.66 -50.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.93 -160.11 0.09 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.73 164.81 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 7.6 mt -87.84 165.21 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.508 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -136.03 -43.04 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -137.31 147.85 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.492 ' HG2' HG23 ' A' ' 40' ' ' ILE . 32.6 mt-30 -153.96 147.35 24.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.18 -167.69 39.47 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.6 p -112.44 140.24 47.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.649 ' C ' HD22 ' A' ' 25' ' ' LEU . 96.2 mt -136.59 173.95 11.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.771 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -110.29 99.38 8.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.535 ' HE2' ' CD1' ' A' ' 98' ' ' TYR . 25.6 tttt -86.53 119.67 27.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.43 ' NE2' ' CD1' ' A' ' 34' ' ' TRP . 2.7 mm-40 -84.04 -49.92 8.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.08 -157.86 23.58 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -98.82 -55.24 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.594 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -44.2 67.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.64 110.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -127.0 -53.56 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -166.75 134.63 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.43 ' CD1' ' NE2' ' A' ' 27' ' ' GLN . 80.0 m95 -55.32 97.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.019 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -94.37 171.76 8.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.711 HG22 ' CD1' ' A' ' 25' ' ' LEU . 8.7 t -110.47 136.27 46.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -153.32 155.29 36.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.415 ' HE2' HD11 ' A' ' 40' ' ' ILE . 5.6 tttm -85.18 147.87 26.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.543 ' HD1' HD21 ' A' ' 48' ' ' LEU . 12.2 m-85 -140.7 113.83 8.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.79 HD12 ' CE1' ' A' ' 51' ' ' TYR . 80.6 mt -108.02 135.04 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.8 tp -107.91 143.53 36.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.541 ' NH2' ' CD2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -147.8 121.2 9.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.462 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -99.88 146.58 26.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.499 ' N ' ' C ' ' A' ' 45' ' ' PRO . 19.7 t0 46.39 77.41 0.46 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.499 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.5 Cg_endo -74.97 166.96 81.86 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.003 0.007 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.78 104.32 16.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.49 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 8.1 m-85 -148.51 168.52 22.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.831 HD12 HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -140.7 110.72 6.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.814 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 57.4 m80 -106.72 148.73 28.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.575 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.405 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 15.5 p90 -135.6 131.43 35.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.79 ' CE1' HD12 ' A' ' 40' ' ' ILE . 18.2 m-85 -117.14 159.94 21.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.509 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 7.4 t70 -65.44 138.37 96.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.407 ' HG3' HG12 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -75.0 -43.17 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.509 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -51.38 -38.16 51.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.405 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . 149.66 138.05 2.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.407 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . . . -171.45 176.93 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -122.02 -58.92 1.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.01 152.25 48.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.494 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 131.77 14.65 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.762 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.405 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 mt -52.54 -30.04 28.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 179.29 -154.46 13.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.814 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -165.25 151.91 10.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 0.777 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.831 HD12 HD12 ' A' ' 48' ' ' LEU . 20.5 mt -113.46 123.96 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.49 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 4.5 t-160 -68.97 133.96 48.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.609 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 mt -121.66 14.65 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.454 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 6.1 ptt180 -55.24 -29.32 57.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 66' ' ' ARG . . . -158.87 26.51 0.38 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.0 p -66.77 170.05 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.0 t -124.72 155.89 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.955 HG11 HG23 ' A' ' 112' ' ' ILE . 23.8 t -120.39 139.54 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.504 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -158.61 175.01 14.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.41 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.66 157.68 20.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.788 HG13 ' CA ' ' A' ' 88' ' ' PHE . 30.1 m -82.58 -167.65 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -113.12 -58.67 2.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.36 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.8 p 53.33 173.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -157.94 151.67 23.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.9 p -176.14 144.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.957 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -108.11 -59.58 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 160.92 46.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.4 114.75 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 67.26 158.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.54 125.67 45.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -103.39 -63.68 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -140.82 122.38 15.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.344 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -163.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -73.98 112.23 9.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.811 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -125.66 178.38 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.788 ' CA ' HG13 ' A' ' 73' ' ' VAL . 10.0 p90 -161.52 155.09 21.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.504 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 8.4 tt0 -105.49 134.65 48.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.594 ' CD1' HD13 ' A' ' 115' ' ' ILE . 91.3 mt -127.05 105.25 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.2 mt -81.63 141.76 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.478 HG21 HG23 ' A' ' 63' ' ' ILE . 50.6 p -103.39 -170.33 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.36 -22.76 61.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.876 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -90.95 -1.0 57.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.54 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.8 mt-10 83.02 0.78 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.876 HG23 ' HB3' ' A' ' 94' ' ' ASP . 47.6 t -58.68 133.56 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 11.2 m-70 -107.02 136.89 46.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.617 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.535 ' CD1' ' HE2' ' A' ' 26' ' ' LYS . 41.9 m-85 -131.96 135.71 46.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.405 ' C ' HD13 ' A' ' 100' ' ' LEU . 3.1 m-85 -111.84 107.05 15.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -111.38 128.49 55.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.811 ' HG3' HD23 ' A' ' 87' ' ' LEU . 7.6 tt0 -93.71 138.22 32.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -104.5 163.82 12.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.76 -59.99 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 65.3 p -101.87 162.07 21.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.394 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.99 -13.1 21.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.771 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -87.72 -28.83 21.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ARG . 2.0 tt0 -69.64 -55.95 8.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.662 ' O ' HD12 ' A' ' 112' ' ' ILE . 2.8 tmm_? -38.61 -44.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.432 HG22 ' HE3' ' A' ' 113' ' ' LYS . 1.2 m -68.59 -48.08 65.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 114' ' ' ALA . 3.6 mt-10 -52.66 -54.16 37.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.612 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 14.9 m95 -46.0 -56.45 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 107.986 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.955 HG23 HG11 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -44.31 -62.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.45 ' N ' HG22 ' A' ' 112' ' ' ILE . 10.7 mttt -57.43 -28.64 63.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -68.06 -54.66 16.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.594 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.5 mt -59.43 -42.16 86.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.705 ' HG2' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -58.0 -52.52 65.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.497 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -45.03 -43.16 9.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -75.49 -60.83 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.6 p -47.0 -29.53 2.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.417 ' C ' ' OG1' ' A' ' 121' ' ' THR . 54.7 mmt-85 -58.56 -29.1 66.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.417 ' OG1' ' C ' ' A' ' 120' ' ' ARG . 3.2 p 44.39 -169.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -70.47 -36.81 69.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.74 82.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.78 97.25 10.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -120.21 -150.33 8.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 81.76 2.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.058 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.9 137.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.0 t -150.67 86.77 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.038 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 52.63 95.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.034 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.2 m 56.59 89.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.957 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.68 137.66 1.04 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 p -146.25 109.95 4.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.023 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m 62.48 119.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.81 -91.0 0.12 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -134.69 153.07 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.48 ' HA ' HD13 ' A' ' 9' ' ' ILE . 3.5 mm -46.16 154.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 11' ' ' LYS . 1.5 tm? -119.02 107.5 13.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.546 ' O ' HD13 ' A' ' 10' ' ' LEU . 11.3 mtpt -54.79 -170.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -108.92 -39.7 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -67.07 -11.39 57.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.406 ' C ' ' N ' ' A' ' 16' ' ' GLY . 47.4 m-85 -102.14 -22.26 14.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -39.57 -31.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 14' ' ' PHE . . . -76.74 -165.75 22.83 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.652 HG22 ' H ' ' A' ' 18' ' ' ILE . 9.0 p -124.85 175.46 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 0.736 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.652 ' H ' HG22 ' A' ' 17' ' ' VAL . 25.0 mt -100.57 158.23 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.441 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -122.74 -41.45 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HD3' ' CE2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -157.34 128.35 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.604 ' NE2' HG21 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -146.63 156.85 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . 173.16 -149.06 10.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.3 m -108.08 143.69 36.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 100' ' ' LEU . 13.3 mt -144.45 159.61 42.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.784 HD11 HG22 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -102.14 98.82 8.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -91.66 126.74 36.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -91.41 169.44 10.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -156.61 -54.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -177.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -80.68 -39.85 26.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.83 70.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -131.39 162.13 30.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -44.26 156.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -89.03 174.99 7.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 108.028 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -141.09 116.26 9.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.784 HG22 HD11 ' A' ' 25' ' ' LEU . 42.5 t -56.99 141.57 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -154.75 145.03 21.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 11.6 tttt -80.49 135.15 36.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.754 ' CD2' HD11 ' A' ' 48' ' ' LEU . 14.5 m-85 -130.62 120.53 24.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.905 HD12 ' CE1' ' A' ' 51' ' ' TYR . 44.4 mt -111.45 128.69 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 tp -109.73 133.53 53.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.509 ' CZ ' ' ND1' ' A' ' 49' ' ' HIS . 8.4 ptp180 -138.87 127.45 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.483 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -101.26 138.64 38.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.267 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.516 ' N ' ' C ' ' A' ' 45' ' ' PRO . 7.8 t0 57.79 76.46 0.47 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.516 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.03 166.74 82.47 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.973 0.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.09 96.18 8.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.436 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 6.3 m-85 -146.23 151.22 37.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.028 HD12 HD12 ' A' ' 63' ' ' ILE . 1.5 tm? -117.25 111.28 19.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.509 ' ND1' ' CZ ' ' A' ' 42' ' ' ARG . 63.6 m80 -107.58 125.08 50.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.581 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.593 ' CE1' ' HB2' ' A' ' 60' ' ' LEU . 34.9 p90 -119.81 128.06 53.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.905 ' CE1' HD12 ' A' ' 40' ' ' ILE . 16.1 m-85 -109.77 156.74 19.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.505 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 5.3 t70 -69.03 141.88 92.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -50.31 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.505 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -40.76 -33.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.664 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 143.1 158.84 7.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 164.97 170.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -115.73 -61.45 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.2 154.76 66.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.99 144.32 30.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.593 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -55.8 -42.06 75.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -175.67 -153.88 10.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -148.77 134.31 18.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.028 HD12 HD12 ' A' ' 48' ' ' LEU . 10.1 mt -100.69 126.0 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.58 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 8.7 t60 -66.89 119.42 11.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.615 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.804 HD11 ' HB2' ' A' ' 48' ' ' LEU . 97.5 mt -112.61 -14.12 13.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.58 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -38.56 -68.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -118.13 43.77 1.55 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 19.6 p -81.79 -174.09 4.82 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -139.79 146.48 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.906 HG11 HG23 ' A' ' 112' ' ' ILE . 31.0 t -113.72 140.07 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.49 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -157.82 170.39 22.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.16 155.77 24.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.653 HG13 ' HA ' ' A' ' 88' ' ' PHE . 22.7 m -80.79 179.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 75' ' ' SER . 9.3 pt-20 -106.69 -34.1 7.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 1.8 p 40.83 88.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -44.4 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 m -50.3 145.56 6.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.975 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -165.85 118.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 44.58 57.52 5.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.587 1.18 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -142.42 -62.97 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.04 177.76 9.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.71 119.58 25.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -146.29 -63.59 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -144.35 128.36 17.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -75.83 -146.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -84.27 118.33 24.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.663 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -131.83 178.51 6.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.092 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.653 ' HA ' HG13 ' A' ' 73' ' ' VAL . 5.6 p90 -164.09 150.8 11.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.49 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 29.4 tt0 -101.68 142.83 32.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.712 ' CD1' HD13 ' A' ' 115' ' ' ILE . 62.1 mt -135.2 107.69 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 68' ' ' CYS . 2.3 mt -86.95 143.52 11.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 70.0 p -108.18 174.22 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.32 -18.32 36.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.851 ' HB3' HG23 ' A' ' 96' ' ' VAL . 16.5 t70 -93.05 -2.61 55.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.9 mt-10 80.54 4.15 1.74 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.851 HG23 ' HB3' ' A' ' 94' ' ' ASP . 42.0 t -64.43 131.55 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 9.4 m-70 -104.23 145.4 30.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.443 ' HB3' HD21 ' A' ' 100' ' ' LEU . 62.3 m-85 -137.12 140.55 41.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -116.69 108.31 15.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.722 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -117.39 127.7 54.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.663 ' HG3' HD23 ' A' ' 87' ' ' LEU . 5.5 tt0 -93.38 125.29 37.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -89.34 140.44 29.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.82 -63.84 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.413 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 1.0 OUTLIER -93.18 165.47 18.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.387 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -75.04 -16.65 20.0 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.788 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -82.21 -40.96 20.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.5 -44.25 93.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.579 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -49.26 -47.42 46.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.409 ' N ' ' HD2' ' A' ' 108' ' ' ARG . 1.0 OUTLIER -75.29 -51.04 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.424 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 114' ' ' ALA . 3.3 mt-10 -49.11 -54.58 15.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.708 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 0.5 OUTLIER -43.73 -61.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.906 HG23 HG11 ' A' ' 70' ' ' VAL . 1.3 mt -41.65 -65.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.485 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.9 OUTLIER -53.11 -30.9 39.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -65.04 -51.49 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.712 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.2 mt -62.36 -48.32 88.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.684 ' HG2' HG21 ' A' ' 70' ' ' VAL . 3.9 mt-30 -53.17 -49.91 65.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.448 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.4 OUTLIER -47.9 -47.72 31.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.483 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.13 -59.93 2.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 64.6 p -44.79 -44.12 9.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.952 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -66.61 -46.14 76.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 38.01 87.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.419 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -69.54 93.92 0.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.01 128.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.77 125.62 29.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.123 . . . . 0.0 109.969 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.38 -167.51 0.33 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 157.63 42.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.769 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.9 t -149.15 165.15 32.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.963 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 97.0 p 42.21 92.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.044 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.76 105.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 0.778 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 p -164.21 169.97 16.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.8 -166.69 30.91 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.87 99.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 0.743 . . . . 0.0 110.039 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -176.32 147.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.966 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.88 -88.43 0.39 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.8 t -128.91 144.76 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 mt -40.24 155.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.8 HD23 ' HB3' ' A' ' 15' ' ' ARG . 0.5 OUTLIER -133.24 145.0 50.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -93.08 -173.0 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.45 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 1.3 mt-10 -93.26 -28.51 16.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.21 1.65 20.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -121.67 -38.23 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.8 ' HB3' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.06 -14.21 59.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.163 . . . . 0.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.94 -159.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.557 HG22 ' H ' ' A' ' 18' ' ' ILE . 8.1 p -124.21 172.73 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.557 ' H ' HG22 ' A' ' 17' ' ' VAL . 3.8 mt -113.39 171.09 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.534 ' H ' HG22 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -143.9 -44.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.541 ' HD2' ' CE3' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -147.77 130.92 16.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.656 ' HG2' HG23 ' A' ' 40' ' ' ILE . 31.8 mt-30 -131.66 137.14 48.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.66 -149.65 7.78 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.408 ' O ' HD23 ' A' ' 24' ' ' LEU . 26.2 p -130.71 149.0 52.56 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.536 HD11 ' CD1' ' A' ' 111' ' ' TRP . 33.6 mt -146.14 161.83 39.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.821 HD11 HG22 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -103.87 102.52 12.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.501 ' HE3' ' CE1' ' A' ' 98' ' ' TYR . 5.8 tttt -85.1 111.14 19.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.514 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 1.5 tt0 -64.9 162.79 15.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.94 -162.98 9.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -46.17 56.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.588 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -62.52 -38.25 89.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 62.4 174.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER 67.84 139.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER 80.31 -53.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.748 ' CH2' HD22 ' A' ' 87' ' ' LEU . 5.8 m0 67.72 -176.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.65 118.69 8.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.821 HG22 HD11 ' A' ' 25' ' ' LEU . 39.0 t -60.78 139.85 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -151.58 140.53 21.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -81.3 97.0 7.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.533 ' CD2' HD11 ' A' ' 48' ' ' LEU . 10.3 m-85 -87.62 118.42 27.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.937 HD12 ' CE1' ' A' ' 51' ' ' TYR . 63.8 mt -111.77 129.17 67.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.449 HD23 HG13 ' A' ' 19' ' ' ILE . 15.4 tp -108.31 134.61 50.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.438 ' CA ' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -137.0 127.91 27.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -104.07 138.92 39.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.501 ' N ' ' C ' ' A' ' 45' ' ' PRO . 1.3 m-20 58.17 76.99 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.501 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.98 170.6 71.39 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.036 -0.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.51 101.4 13.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.463 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 8.7 m-85 -147.99 164.28 34.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.107 HD12 HD12 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -139.77 111.16 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.761 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 53.8 m80 -106.46 148.41 28.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.61 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.55 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 21.6 p90 -132.07 120.72 22.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.937 ' CE1' HD12 ' A' ' 40' ' ' ILE . 14.4 m-85 -107.95 168.2 9.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.662 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 9.5 t70 -79.87 137.24 54.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.594 ' HG3' HG12 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -74.97 -35.52 3.12 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.662 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -52.02 -37.25 52.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.91 -99.41 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 61.82 -167.89 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -151.49 -57.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.75 154.04 73.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.99 131.49 14.35 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.55 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 2.0 mt -57.17 -29.64 63.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 176.12 -168.21 40.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.761 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -151.74 153.55 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.107 HD12 HD12 ' A' ' 48' ' ' LEU . 18.3 mt -115.23 118.96 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.499 ' CG ' ' HG2' ' A' ' 66' ' ' ARG . 5.1 t-160 -66.76 128.86 37.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.628 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 mt -117.04 15.38 15.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.499 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 3.7 ptt180 -53.23 -24.28 10.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -166.78 30.03 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.9 p -67.76 171.39 6.54 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.1 t -127.44 153.16 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.906 HG11 HG23 ' A' ' 112' ' ' ILE . 23.3 t -118.9 138.8 48.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.505 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -158.19 172.91 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.443 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.19 163.3 13.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.036 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.611 HG23 ' H ' ' A' ' 75' ' ' SER . 12.3 m -100.48 172.93 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -106.44 30.47 5.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.611 ' H ' HG23 ' A' ' 73' ' ' VAL . 49.0 m -106.67 89.68 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -138.29 178.32 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.72 -59.1 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 0.0 109.994 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -46.58 110.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.12 -150.94 8.47 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 40.55 36.44 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 110.342 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.88 100.25 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.59 73.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.971 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -150.01 -54.49 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.846 ' HB3' HD11 ' A' ' 87' ' ' LEU . 9.9 mt-10 -140.9 101.01 3.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -115.15 -19.24 10.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.603 ' O ' HD12 ' A' ' 87' ' ' LEU . 62.5 m-20 -154.61 -77.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.846 HD11 ' HB3' ' A' ' 84' ' ' GLU . 0.0 OUTLIER 62.33 -177.7 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 20.8 p90 -165.36 153.43 11.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.505 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 26.5 tt0 -99.73 145.08 28.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 75.3 mt -141.36 103.81 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -81.99 140.83 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.451 HG21 HG23 ' A' ' 63' ' ' ILE . 39.3 p -101.34 -173.08 2.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.11 -15.86 62.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.51 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -96.79 0.26 49.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.547 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 7.0 mt-10 81.71 -1.13 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.51 HG23 ' HB3' ' A' ' 94' ' ' ASP . 21.9 t -58.63 135.4 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 12.0 m-70 -108.08 141.9 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.501 ' CE1' ' HE3' ' A' ' 26' ' ' LYS . 57.9 m-85 -138.49 131.67 30.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.446 ' HD2' HG11 ' A' ' 73' ' ' VAL . 77.1 m-85 -110.92 106.2 15.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.596 HD22 ' N ' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -103.22 137.77 40.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.721 ' CB ' HD23 ' A' ' 87' ' ' LEU . 2.1 tt0 -92.48 127.1 37.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.95 133.06 43.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.0 -39.89 63.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.3 p -131.07 166.38 28.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.83 16.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -37.83 70.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -68.8 -43.84 74.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.922 ' O ' HD12 ' A' ' 112' ' ' ILE . 5.1 ttp180 -48.27 -47.45 36.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.89 -44.27 66.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.0 mt-10 -57.41 -60.42 3.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.71 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 1.5 m95 -42.23 -59.34 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 107.994 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.922 HD12 ' O ' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -43.36 -66.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.522 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -54.1 -24.66 18.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -72.75 -57.74 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.431 HD12 ' O ' ' A' ' 111' ' ' TRP . 2.1 mp -57.84 -39.1 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.735 ' HG2' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -61.21 -51.45 68.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.491 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -47.78 -42.81 26.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -74.39 -58.19 3.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.1 p -50.23 -29.62 9.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 116' ' ' GLN . 14.4 mmt85 -60.05 -30.21 69.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.407 ' OG1' ' C ' ' A' ' 120' ' ' ARG . 8.3 p 44.5 -167.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -130.16 20.79 4.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.08 133.97 43.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 0.75 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.36 -83.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.956 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 173.69 163.51 27.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 68.56 5.72 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.534 1.808 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.25 -93.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.6 -53.36 39.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.991 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 p -114.49 143.73 44.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.006 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -168.96 145.96 3.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.47 -116.0 2.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.135 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.67 90.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 0.738 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.88 120.4 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.783 ' O ' HG12 ' A' ' 8' ' ' VAL . . . 138.08 -65.56 0.54 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.783 HG12 ' O ' ' A' ' 7' ' ' GLY . 9.7 p 52.11 170.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.773 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.516 ' CG2' ' N ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER 55.42 165.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.525 HD11 ' O ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -67.33 -151.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' H ' HD12 ' A' ' 10' ' ' LEU . 29.2 mttt -151.59 -121.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.429 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 3.2 mm-40 -135.42 -44.04 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.573 ' HG3' ' CD1' ' A' ' 14' ' ' PHE . 13.0 pt-20 -81.4 -26.14 35.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.573 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 20.1 m-30 -91.0 0.46 57.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.429 ' HG3' ' HA ' ' A' ' 12' ' ' GLU . 21.7 mmm180 -68.75 60.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 14' ' ' PHE . . . -158.57 -151.97 6.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.522 HG22 ' N ' ' A' ' 18' ' ' ILE . 14.7 p -129.06 170.02 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.575 ' C ' HD13 ' A' ' 19' ' ' ILE . 39.4 mt -107.54 165.45 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.967 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -143.9 -45.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HG2' ' CD2' ' A' ' 111' ' ' TRP . 4.3 tptt -123.62 146.72 47.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.547 ' HG2' HG23 ' A' ' 40' ' ' ILE . 30.7 mt-30 -156.78 143.76 18.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.19 -171.92 36.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.7 p -103.63 144.73 31.06 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 20.9 mt -139.48 159.76 41.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.762 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -102.32 99.22 9.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -88.99 124.41 34.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.68 162.98 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.41 ' O ' ' CB ' ' A' ' 29' ' ' HIS . . . 92.93 98.06 1.44 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.41 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER 169.34 -62.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 109.602 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.27 -31.82 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 57.68 85.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.99 -40.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -153.69 167.05 30.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 29.4 m95 -88.07 135.98 33.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 107.984 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.21 142.37 41.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.738 HG22 HD11 ' A' ' 25' ' ' LEU . 17.7 t -83.73 140.58 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.1 154.41 30.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 50' ' ' TYR . 7.5 tttt -84.76 143.48 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.097 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.624 ' CD2' HD11 ' A' ' 48' ' ' LEU . 8.3 m-85 -139.97 113.25 8.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.758 HD12 ' HE1' ' A' ' 51' ' ' TYR . 76.0 mt -110.96 137.05 45.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.9 tp -108.95 142.16 40.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 45' ' ' PRO . 22.3 mtp180 -138.84 123.08 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.967 ' HG2' HD12 ' A' ' 19' ' ' ILE . 2.2 pt-20 -100.1 136.27 40.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.467 ' N ' ' C ' ' A' ' 45' ' ' PRO . 34.4 t0 55.4 78.42 0.38 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.467 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.01 172.18 64.33 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.989 -2.505 . . . . 0.0 110.993 0.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.6 95.77 7.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.409 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 5.8 m-85 -140.91 157.39 45.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.03 HD12 HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -131.88 110.64 10.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.594 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 81.0 m80 -103.75 154.4 19.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.593 ' CE1' ' C ' ' A' ' 61' ' ' GLY . 1.5 p90 -145.95 122.72 11.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.758 ' HE1' HD12 ' A' ' 40' ' ' ILE . 4.4 m-85 -110.53 165.2 11.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 8.9 t0 -68.61 139.52 91.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -49.81 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.425 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -41.67 -44.79 3.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.8 135.58 2.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -165.7 -148.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.38 -46.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -97.4 149.75 36.05 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -75.0 129.21 12.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mt -48.97 -27.5 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.593 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . 173.19 -170.94 44.09 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.594 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -145.57 158.47 43.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.794 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.03 HD12 HD12 ' A' ' 48' ' ' LEU . 17.9 mt -124.46 110.57 25.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 7.5 t-160 -59.26 129.57 42.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.644 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.0 mt -109.48 22.08 16.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.567 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -72.23 82.92 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.2 28.85 52.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.6 p -69.4 173.19 6.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 36.3 t -122.5 149.01 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.049 HG11 HG23 ' A' ' 112' ' ' ILE . 25.1 t -120.52 138.08 52.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.491 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.4 t -158.68 175.42 13.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.82 163.13 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.773 HG13 ' CA ' ' A' ' 88' ' ' PHE . 10.7 m -85.85 -157.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.88 35.87 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.72 ' H ' HG23 ' A' ' 73' ' ' VAL . 6.7 t -71.07 72.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -92.79 -60.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.2 m -147.14 154.19 40.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 176.81 125.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.17 -124.44 25.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.47 -55.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.338 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -81.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.4 t -170.38 104.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -109.84 -56.7 2.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -136.87 121.56 18.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -77.53 -146.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -81.67 126.66 32.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.615 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -136.69 166.29 23.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.773 ' CA ' HG13 ' A' ' 73' ' ' VAL . 7.0 p90 -152.52 151.04 30.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.491 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 6.4 tt0 -100.01 145.43 27.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.678 ' CD1' HD13 ' A' ' 115' ' ' ILE . 93.5 mt -138.4 106.09 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.6 mt -86.9 142.8 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.538 HG21 ' CG2' ' A' ' 63' ' ' ILE . 72.1 p -106.79 179.15 4.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.73 -16.23 60.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.826 ' HB3' HG23 ' A' ' 96' ' ' VAL . 29.0 t70 -95.86 -1.09 50.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.565 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 79.27 5.05 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.826 HG23 ' HB3' ' A' ' 94' ' ' ASP . 43.7 t -65.28 129.98 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.565 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 7.5 m-70 -102.91 143.94 31.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.626 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.571 ' CE2' HG12 ' A' ' 96' ' ' VAL . 72.0 m-85 -136.3 135.47 38.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.47 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 60.7 m-85 -111.52 107.49 16.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -115.61 132.63 56.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.615 ' HG3' HD23 ' A' ' 87' ' ' LEU . 3.9 tt0 -96.88 123.76 40.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.18 134.03 35.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.167 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.76 -65.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 63.9 p -96.01 162.43 23.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.443 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.74 21.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -91.03 -28.23 18.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -71.06 -35.79 72.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.302 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.485 ' O ' HD12 ' A' ' 112' ' ' ILE . 4.4 ttm180 -58.9 -44.88 91.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -69.26 -41.76 76.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.4 mt-10 -58.8 -59.8 4.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.675 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 9.4 m95 -43.83 -60.61 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 107.981 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.049 HG23 HG11 ' A' ' 70' ' ' VAL . 3.1 mt -41.08 -66.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.481 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -53.38 -30.85 42.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -66.07 -56.11 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.678 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.5 mt -57.72 -36.43 54.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.093 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.69 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.4 mt-30 -64.09 -51.44 64.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.489 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -48.37 -42.19 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.427 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -69.58 -66.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 30.3 t -48.83 -29.01 4.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' GLN . 18.4 mmt-85 -60.7 -46.34 90.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 120' ' ' ARG . 1.7 t -38.44 141.93 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.108 . . . . 0.0 110.416 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -109.72 116.15 4.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.558 1.161 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -42.4 111.49 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.0 m -104.62 101.36 11.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -83.07 -161.9 31.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.3 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.0 m 62.0 137.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 36.8 m -138.28 95.81 3.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.4 p -68.9 -178.63 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 0.0 110.044 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.8 84.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.029 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.04 -124.01 5.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 41.73 81.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.986 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 p -146.55 -53.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.63 56.71 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 9' ' ' ILE . 2.6 t 57.9 161.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 0.737 . . . . 0.0 109.239 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' A' ' 10' ' ' LEU . 11.9 mt 56.4 162.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 11' ' ' LYS . 3.2 tm? -132.11 103.78 6.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.55 ' O ' HD13 ' A' ' 10' ' ' LEU . 20.3 mttt -82.43 -171.2 3.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.12 -40.72 15.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -15.82 21.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.247 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -104.41 24.11 12.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.539 ' CD ' HD11 ' A' ' 10' ' ' LEU . 5.6 mmm180 -103.87 -168.7 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.85 160.06 7.53 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 m -87.94 -178.11 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.535 HD12 ' CG2' ' A' ' 40' ' ' ILE . 24.1 mm -105.35 143.55 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.467 HD11 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -112.19 -27.54 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -168.91 147.26 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.648 ' HG2' HG23 ' A' ' 40' ' ' ILE . 59.9 mt-30 -140.02 159.78 41.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.63 -170.48 35.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.1 p -106.49 159.87 15.84 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 12.6 mt -154.03 152.66 30.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.818 HD11 HG22 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -96.65 100.22 11.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -89.97 119.23 30.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -85.93 137.9 32.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 147.81 66.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -163.47 165.16 24.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.586 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -61.9 -42.83 99.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.67 145.46 2.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -65.36 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -55.44 -179.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -88.47 -168.22 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 108.006 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.42 118.79 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.818 HG22 HD11 ' A' ' 25' ' ' LEU . 41.5 t -63.68 142.81 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.03 151.97 22.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 50' ' ' TYR . 8.1 tptt -83.21 141.65 31.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.793 ' CD2' HD11 ' A' ' 48' ' ' LEU . 10.2 m-85 -137.62 113.62 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.785 HD12 ' CE1' ' A' ' 51' ' ' TYR . 66.3 mt -109.17 132.52 57.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.428 HD23 HG13 ' A' ' 19' ' ' ILE . 25.5 tp -108.12 135.56 49.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.467 ' CA ' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -139.15 126.49 21.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -101.67 138.82 38.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.507 ' N ' ' C ' ' A' ' 45' ' ' PRO . 52.2 t0 58.45 76.58 0.45 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.507 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.5 Cg_endo -75.01 164.91 87.31 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.044 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.403 ' HB2' HG22 ' A' ' 121' ' ' THR . . . -93.54 96.79 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.438 ' N ' HD12 ' A' ' 65' ' ' LEU . 5.2 m-85 -144.89 162.86 35.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.157 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.939 ' CD1' HD12 ' A' ' 63' ' ' ILE . 1.5 tm? -130.77 111.04 11.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.429 ' NE2' ' HB2' ' A' ' 62' ' ' ALA . 45.1 m80 -105.69 140.62 38.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.615 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.576 ' CE1' ' O ' ' A' ' 61' ' ' GLY . 3.0 p90 -134.42 125.87 28.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.785 ' CE1' HD12 ' A' ' 40' ' ' ILE . 3.4 m-85 -113.11 159.94 18.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 12.0 t70 -64.39 143.08 98.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -46.01 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.475 1.776 . . . . 0.0 110.958 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.409 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -60.41 -31.95 70.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.584 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 144.94 157.07 7.07 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.475 1.109 . . . . 0.0 111.056 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 171.12 -33.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 76.15 -69.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.84 149.32 96.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.529 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.96 133.92 17.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.27 -29.6 63.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.576 ' O ' ' CE1' ' A' ' 50' ' ' TYR . . . 170.76 173.66 38.1 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.429 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . . . -118.7 166.73 12.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.939 HD12 ' CD1' ' A' ' 48' ' ' LEU . 35.7 mt -133.7 113.93 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.611 ' CE1' ' HD2' ' A' ' 66' ' ' ARG . 11.5 t60 -56.43 124.99 20.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.628 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.633 HD22 HG23 ' A' ' 115' ' ' ILE . 72.3 mt -110.72 -29.62 7.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.611 ' HD2' ' CE1' ' A' ' 64' ' ' HIS . 3.3 mtt-85 -36.59 -50.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.346 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.05 56.37 0.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.428 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 20.3 p -106.08 178.68 4.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 91' ' ' ILE . 46.3 t -140.47 141.57 32.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.032 HG11 HG23 ' A' ' 112' ' ' ILE . 37.4 t -108.12 138.44 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.485 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.2 t -157.18 175.84 13.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.97 144.91 42.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.02 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.787 HG13 ' HA ' ' A' ' 88' ' ' PHE . 15.5 m -71.27 -160.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -126.83 -45.68 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 p 48.72 -175.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' SER . 0.7 OUTLIER -86.5 165.55 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 76' ' ' ASN . 23.1 p -39.37 -56.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.18 87.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.28 -46.83 5.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.42 82.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 0.773 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 82' ' ' SER . 0.0 OUTLIER 72.62 167.25 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.329 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER 83.89 117.09 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 67.62 -63.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 82' ' ' SER . 28.9 mt-10 -145.56 126.97 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.252 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -74.66 -149.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -79.94 123.57 27.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.488 ' CD2' ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -132.7 -177.67 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.787 ' HA ' HG13 ' A' ' 73' ' ' VAL . 14.7 p90 -169.97 149.63 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.582 ' OE1' HD11 ' A' ' 91' ' ' ILE . 5.4 tt0 -99.88 138.5 36.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.7 mt -131.71 108.79 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.582 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.6 mt -88.73 141.88 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.725 HG21 HG23 ' A' ' 63' ' ' ILE . 34.5 p -104.7 -179.58 3.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.28 -15.17 62.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.5 ' CB ' HG23 ' A' ' 96' ' ' VAL . 1.5 m-20 -97.33 -0.19 46.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.598 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 78.7 5.43 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.5 HG23 ' CB ' ' A' ' 94' ' ' ASP . 20.1 t -63.95 131.26 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 12.6 m-70 -102.92 138.17 40.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.566 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.422 ' HB3' HD21 ' A' ' 100' ' ' LEU . 61.1 m-85 -133.3 134.33 43.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -111.33 107.57 16.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.718 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -114.79 128.48 56.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.488 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 4.6 tt0 -93.47 129.04 39.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.761 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -98.15 122.5 41.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.76 -63.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.413 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 2.9 p -93.82 164.12 21.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.431 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.95 -16.0 20.56 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.525 1.802 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.94 -48.75 12.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.761 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 1.9 tp10 -50.18 -48.95 53.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.663 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -48.71 -43.96 37.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.81 -50.46 24.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 114' ' ' ALA . 6.7 mt-10 -52.83 -56.83 12.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.72 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 3.7 m95 -43.6 -59.16 2.3 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.032 HG23 HG11 ' A' ' 70' ' ' VAL . 1.7 mt -41.03 -66.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.521 ' N ' HG22 ' A' ' 112' ' ' ILE . 27.4 mtmt -55.68 -29.98 60.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -62.55 -57.22 11.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.633 HG23 HD22 ' A' ' 65' ' ' LEU . 1.7 mp -58.8 -40.28 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.801 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.4 mt-30 -60.54 -50.42 73.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.48 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -50.06 -44.13 51.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.445 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -74.79 -59.73 2.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.7 p -47.59 -34.63 8.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -59.69 -33.38 71.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 118' ' ' ALA . 31.0 p 44.29 -165.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -71.4 -28.23 70.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.67 -76.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.42 106.16 8.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.945 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 162.59 160.95 11.57 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -49.67 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 51.7 p -166.4 -57.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.963 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.0 t -157.1 -57.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.032 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.42 71.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.986 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 m -122.8 134.36 54.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.025 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.39 93.01 0.16 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.561 1.163 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 p -137.15 123.63 20.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 109.961 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -85.12 97.25 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.36 -176.58 32.92 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 p -132.26 169.71 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 10' ' ' LEU . 1.7 mp -49.8 163.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.974 HD23 ' N ' ' A' ' 11' ' ' LYS . 6.8 tt -143.16 155.27 44.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.974 ' N ' HD23 ' A' ' 10' ' ' LEU . 28.1 mttt -54.04 -176.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.84 -7.05 14.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.586 ' OE2' ' CZ ' ' A' ' 14' ' ' PHE . 12.0 pt-20 -92.57 -2.54 56.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.645 ' HB2' HD21 ' A' ' 10' ' ' LEU . 20.2 m-85 -136.85 44.69 2.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -126.22 20.31 7.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 110.331 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -107.41 -137.85 8.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 p -143.77 161.21 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.807 HG21 ' CD ' ' A' ' 21' ' ' GLN . 48.6 mm -94.06 144.79 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -110.91 -40.68 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -150.95 150.07 30.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.807 ' CD ' HG21 ' A' ' 18' ' ' ILE . 48.9 mt-30 -146.48 158.43 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.9 -171.97 37.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.0 p -110.47 139.17 45.94 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 mt -131.89 162.46 30.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.774 HD11 HG22 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -100.67 99.23 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.594 ' HG3' HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -86.47 116.8 24.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.446 ' HG3' ' CD2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -91.64 140.88 29.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.18 -101.26 2.05 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -164.95 -57.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 0.776 . . . . 0.0 109.588 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -38.63 71.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.24 138.84 55.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -72.74 -76.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -73.9 -165.51 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.446 ' CD2' ' HG3' ' A' ' 27' ' ' GLN . 6.6 m95 -98.79 -168.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.015 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -153.36 119.22 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.774 HG22 HD11 ' A' ' 25' ' ' LEU . 40.5 t -64.25 140.59 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -156.08 154.62 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.88 131.44 35.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.787 ' CD1' HD11 ' A' ' 48' ' ' LEU . 4.5 m-85 -127.44 112.86 15.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.996 HD12 ' CE1' ' A' ' 51' ' ' TYR . 51.5 mt -107.47 129.14 61.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.1 tp -107.51 135.87 48.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.571 ' NH1' HD11 ' A' ' 18' ' ' ILE . 4.4 ptp180 -138.29 126.03 22.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -101.07 144.19 30.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.516 ' N ' ' C ' ' A' ' 45' ' ' PRO . 15.6 t70 57.82 76.12 0.49 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.516 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -75.01 169.41 74.64 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.998 0.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.49 96.69 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.559 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 6.7 m-85 -145.37 161.59 39.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.042 HD12 HD12 ' A' ' 63' ' ' ILE . 1.1 tm? -131.75 110.97 11.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.795 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 62.9 m80 -105.22 147.87 27.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.63 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.525 ' HD2' HD23 ' A' ' 60' ' ' LEU . 2.1 p90 -132.95 149.9 52.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.996 ' CE1' HD12 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -137.22 148.26 46.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 110.977 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 55' ' ' GLY . 1.1 t70 -61.78 138.7 95.44 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.441 ' C ' ' N ' ' A' ' 55' ' ' GLY . 18.4 Cg_endo -75.01 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.42 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -41.38 -29.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 53' ' ' PRO . . . 129.91 137.57 4.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -168.29 179.51 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -115.22 -53.23 2.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -102.14 152.81 38.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.562 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.0 144.97 30.88 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.793 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.763 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -58.92 -44.84 91.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.496 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . -172.9 -164.71 28.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.795 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -147.5 163.09 37.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.042 HD12 HD12 ' A' ' 48' ' ' LEU . 19.9 mt -119.17 116.95 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.559 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 5.7 t-160 -61.66 119.49 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.602 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.411 ' HA ' ' SG ' ' A' ' 68' ' ' CYS . 24.3 mt -102.59 10.64 38.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.491 ' HD2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -52.4 -60.99 2.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.3 35.29 2.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 15.6 p -74.93 175.61 7.93 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -137.9 151.09 25.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.904 HG11 HG23 ' A' ' 112' ' ' ILE . 25.0 t -116.37 138.59 46.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.498 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -153.83 175.73 12.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.69 162.59 18.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.608 HG23 ' H ' ' A' ' 75' ' ' SER . 25.2 m -98.67 -167.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -125.49 26.1 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.608 ' H ' HG23 ' A' ' 73' ' ' VAL . 84.6 p -43.41 -57.07 3.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 57.64 93.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 p -55.13 -20.16 9.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -68.19 101.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 81' ' ' LYS . . . 174.41 80.41 0.05 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 56.75 -87.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 79' ' ' GLY . 0.6 OUTLIER -102.85 -169.04 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -73.04 -63.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 67.5 -64.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 82' ' ' SER . 58.0 mt-10 -133.38 121.86 22.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -66.82 -147.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -90.07 111.05 22.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.423 HD11 ' HB3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -114.31 178.17 4.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 33.1 p90 -165.94 156.05 12.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.498 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 36.2 tt0 -105.93 149.97 26.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.425 ' CD1' HD13 ' A' ' 115' ' ' ILE . 52.9 mt -143.35 109.35 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -86.83 141.27 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.572 HG21 HG23 ' A' ' 63' ' ' ILE . 42.3 p -102.26 -165.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.03 -21.48 56.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.767 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -93.89 2.35 56.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.594 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.7 mt-10 80.0 2.13 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.767 HG23 ' HB3' ' A' ' 94' ' ' ASP . 24.8 t -59.87 130.16 23.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 9.1 m-70 -103.5 141.34 36.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.604 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -134.8 128.89 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -111.39 107.44 16.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -110.49 145.74 37.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.502 ' HB3' HD23 ' A' ' 25' ' ' LEU . 1.2 tt0 -97.92 122.86 41.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.17 121.25 34.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.06 -62.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 26.4 p -100.26 162.48 20.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 110.424 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.423 ' O ' ' NH1' ' A' ' 108' ' ' ARG . 18.4 Cg_endo -75.0 -7.65 19.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -91.55 -33.27 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.44 -39.34 94.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.851 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.7 tmm_? -57.82 -45.21 86.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -71.27 -41.91 69.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 110.364 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.9 mt-10 -60.32 -55.58 31.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.65 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 6.1 m95 -45.92 -59.77 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 108.009 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.904 HG23 HG11 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -43.2 -64.14 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.471 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.6 OUTLIER -54.97 -26.86 39.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -72.18 -57.43 4.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.586 HD12 ' O ' ' A' ' 111' ' ' TRP . 2.7 mp -58.16 -43.38 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.743 ' HG2' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -57.74 -52.08 66.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.472 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -48.17 -44.93 32.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.444 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -69.78 -66.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 118' ' ' ALA . 86.3 p -37.98 -49.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.404 ' C ' HG22 ' A' ' 121' ' ' THR . 68.3 mtt-85 -66.68 -46.61 75.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.243 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.404 HG22 ' C ' ' A' ' 120' ' ' ARG . 0.5 OUTLIER 39.05 90.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.406 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -99.15 69.57 0.57 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.49 124.12 3.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.772 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.6 p -59.5 124.2 19.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -158.96 157.67 28.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -44.82 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 t -85.88 94.79 9.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 72.1 p -45.19 129.88 7.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.57 164.51 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 0.0 110.03 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.39 -60.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.024 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.37 -169.27 22.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m 61.02 -95.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.96 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.0 p -102.98 133.28 48.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.15 126.73 3.95 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.124 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' ILE . 12.1 t -105.25 151.99 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.319 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' VAL . 9.8 mt -39.88 154.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.699 HD13 ' O ' ' A' ' 11' ' ' LYS . 2.5 tm? -135.43 97.06 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.699 ' O ' HD13 ' A' ' 10' ' ' LEU . 14.0 mttt -45.7 158.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -80.06 -52.01 8.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -57.28 -16.55 8.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.64 ' CD1' ' NH1' ' A' ' 42' ' ' ARG . 13.6 m-30 -101.38 5.84 42.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -68.82 60.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' PHE . . . -166.7 -161.2 15.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.554 1.159 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.4 p -128.62 168.05 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.748 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 13.8 mt -92.51 165.23 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.495 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -131.19 -44.02 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -145.95 147.52 31.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.562 ' HG2' HG23 ' A' ' 40' ' ' ILE . 34.6 mt-30 -146.5 157.66 43.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.68 179.26 31.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.152 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.6 p -98.1 142.76 29.39 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.488 ' C ' HD22 ' A' ' 25' ' ' LEU . 23.3 mt -135.73 164.18 28.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.786 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -103.15 98.51 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -90.95 127.95 36.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.406 ' HG3' ' CD2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -99.89 118.45 36.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.44 -136.63 8.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.49 62.71 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.575 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.97 -39.38 5.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.12 85.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 178.75 -58.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -170.33 178.14 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.406 ' CD2' ' HG3' ' A' ' 27' ' ' GLN . 5.9 m0 -83.9 161.77 20.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 108.042 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.26 129.52 46.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.737 HG22 HD11 ' A' ' 25' ' ' LEU . 23.0 t -72.67 135.21 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -150.65 158.6 44.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -88.7 139.79 30.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.682 ' CD1' HD11 ' A' ' 48' ' ' LEU . 10.4 m-85 -135.63 114.63 12.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.801 HD12 ' CE1' ' A' ' 51' ' ' TYR . 71.3 mt -108.78 131.79 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.6 tp -109.28 136.89 48.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.64 ' NH1' ' CD1' ' A' ' 14' ' ' PHE . 17.6 ptp180 -141.35 126.2 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -100.74 142.67 31.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.509 ' N ' ' C ' ' A' ' 45' ' ' PRO . 9.4 t70 57.77 76.42 0.47 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.509 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.0 169.34 74.82 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.013 -0.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.78 97.08 9.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.413 ' N ' HD12 ' A' ' 65' ' ' LEU . 6.7 m-85 -149.35 152.38 35.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.939 ' CD1' HD12 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -115.84 114.86 25.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.529 ' NE2' ' HB2' ' A' ' 62' ' ' ALA . 32.3 m80 -106.23 125.69 51.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.63 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 29.8 p90 -122.25 131.83 54.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.801 ' CE1' HD12 ' A' ' 40' ' ' ILE . 6.2 m-85 -119.13 160.6 21.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.471 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 5.0 t70 -70.28 143.63 91.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -49.98 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.544 1.813 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.471 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -43.35 -35.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 147.09 149.93 5.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . -179.81 176.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.35 -58.17 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.22 154.98 47.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.564 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.92 126.65 10.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 3.8 mt -42.87 -28.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 59' ' ' PRO . . . 168.86 -166.26 39.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.529 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . . . -141.31 147.62 38.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.939 HD12 ' CD1' ' A' ' 48' ' ' LEU . 49.1 mt -110.7 128.42 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.526 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 25.4 t60 -63.71 126.46 27.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.649 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' ' 66' ' ' ARG . 49.2 mt -118.5 -34.53 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.526 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 7.8 mtt180 -30.96 -45.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.488 ' H ' ' CD2' ' A' ' 64' ' ' HIS . . . -137.24 58.56 0.64 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.567 1.167 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 20.4 p -105.24 -177.48 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.7 t -137.55 147.27 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.025 HG11 HG23 ' A' ' 112' ' ' ILE . 38.4 t -114.53 140.6 34.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.474 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.0 OUTLIER -157.7 175.88 13.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 110.373 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.33 153.66 32.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.046 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.854 HG13 ' HA ' ' A' ' 88' ' ' PHE . 16.0 m -83.37 -179.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -117.67 26.21 9.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.548 ' H ' HG23 ' A' ' 73' ' ' VAL . 56.8 m -83.56 161.49 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 37.2 t30 63.68 171.01 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.02 171.22 19.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -40.92 104.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 125.58 -170.64 17.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.73 119.95 17.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.95 -46.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.66 124.56 14.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.033 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -51.1 -59.11 4.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.588 ' HB3' HD11 ' A' ' 87' ' ' LEU . 5.9 mt-10 -44.89 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -161.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -74.2 109.5 7.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.647 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -115.04 -179.24 3.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.854 ' HA ' HG13 ' A' ' 73' ' ' VAL . 12.8 p90 -169.14 149.02 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.552 ' OE1' HD11 ' A' ' 91' ' ' ILE . 6.2 tt0 -99.63 140.76 33.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.643 HD13 HD13 ' A' ' 115' ' ' ILE . 80.6 mt -132.67 103.45 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.552 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.4 mt -83.4 143.84 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.741 HG21 HG23 ' A' ' 63' ' ' ILE . 68.2 p -110.12 175.25 5.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.485 ' CB ' ' CD2' ' A' ' 64' ' ' HIS . . . -59.09 -20.22 51.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.823 ' HB3' HG23 ' A' ' 96' ' ' VAL . 56.2 t0 -91.61 -1.96 57.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.612 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 78.62 5.43 2.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.823 HG23 ' HB3' ' A' ' 94' ' ' ASP . 45.5 t -63.46 132.97 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.612 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 11.0 m-70 -106.97 138.18 43.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -132.18 141.77 49.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -115.51 109.15 17.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.654 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -117.29 139.52 50.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.647 ' HG3' HD23 ' A' ' 87' ' ' LEU . 4.3 tt0 -105.51 125.56 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -92.4 124.13 36.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.93 -53.18 6.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 38.4 p -108.07 163.28 17.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.96 -15.99 20.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -84.51 -31.53 24.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.528 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -68.08 -40.79 82.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.59 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.0 OUTLIER -54.02 -46.71 71.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.9 -41.57 78.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.428 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.88 -52.94 63.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.572 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 14.3 m95 -50.64 -61.24 2.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 108.002 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.025 HG23 HG11 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -40.38 -62.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.451 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -55.76 -39.56 71.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -56.07 -55.56 31.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.643 HD13 HD13 ' A' ' 90' ' ' ILE . 3.0 mt -58.86 -43.24 87.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.745 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.1 mt-30 -57.08 -52.01 67.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.452 ' SD ' HG21 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -47.97 -46.43 32.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.963 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.532 ' O ' HG22 ' A' ' 121' ' ' THR . . . -69.55 -65.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 79.9 p -43.49 -33.47 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -59.82 -42.77 94.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 118' ' ' ALA . 2.2 t -49.5 -38.12 29.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -89.52 -59.04 1.57 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.86 130.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.3 p -54.53 -59.15 5.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 123.47 167.78 12.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.477 1.11 . . . . 0.0 111.063 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 58.77 4.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.24 104.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 82.5 p -122.21 101.67 7.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.954 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 p -117.33 81.81 1.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.041 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -172.32 -55.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.8 97.55 0.67 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.03 132.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 110.021 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -77.86 137.2 38.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.87 -119.33 0.89 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' ' 9' ' ' ILE . 21.2 t -119.13 158.25 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.474 ' HA ' HD13 ' A' ' 9' ' ' ILE . 3.6 mm -48.91 151.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.472 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -81.68 104.09 11.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 15.5 mttt -55.9 -169.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -105.07 -43.98 4.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -64.64 -15.11 60.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -104.46 11.82 34.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -77.98 55.36 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -157.29 -149.82 5.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.28 164.25 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.502 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 15.9 mt -93.35 165.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.502 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -141.17 -43.38 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HG2' ' CD2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -132.64 146.69 52.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.569 ' HG2' HG23 ' A' ' 40' ' ' ILE . 34.6 mt-30 -154.85 149.21 26.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.71 -170.9 34.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.2 m -99.85 152.2 20.41 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.534 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 16.6 mt -150.08 155.21 39.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.764 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -97.39 98.8 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -89.75 122.66 33.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.03 149.7 23.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -145.32 -144.64 4.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.51 64.28 0.67 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 0.749 . . . . 0.0 109.617 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -107.71 -40.29 5.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.97 80.02 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.8 -43.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 171.7 -171.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.405 ' CD1' ' N ' ' A' ' 34' ' ' TRP . 5.4 m0 -90.77 -176.97 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HG2' ' CZ ' ' A' ' 37' ' ' ARG . 2.2 tttt -148.27 136.57 21.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.632 HG22 HD11 ' A' ' 25' ' ' LEU . 16.4 t -79.75 135.28 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 35' ' ' LYS . 78.9 mtt-85 -153.06 152.2 31.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -80.36 141.65 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.611 ' CD2' HD11 ' A' ' 48' ' ' LEU . 8.1 m-85 -136.46 114.38 11.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.742 HD12 ' CE1' ' A' ' 51' ' ' TYR . 72.2 mt -109.86 132.0 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.47 HD21 ' O ' ' A' ' 114' ' ' ALA . 30.4 tp -108.38 139.02 43.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.457 ' CB ' ' CZ ' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -140.52 126.92 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -102.47 143.99 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.233 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.518 ' N ' ' C ' ' A' ' 45' ' ' PRO . 28.2 t70 54.28 76.06 0.56 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.518 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.0 170.49 71.71 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.973 0.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.33 95.97 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.442 ' CE1' ' ND1' ' A' ' 64' ' ' HIS . 5.7 m-85 -142.34 163.23 33.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.077 HD12 HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -133.76 111.1 10.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.587 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 63.6 m80 -102.76 144.7 30.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -136.48 122.43 20.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.742 ' CE1' HD12 ' A' ' 40' ' ' ILE . 12.9 m-85 -109.86 158.76 17.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 9.0 t70 -68.4 140.16 92.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.515 1.798 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.417 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -44.44 -30.08 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.25 142.13 4.28 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -169.77 -176.99 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -120.8 -63.54 1.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -93.69 162.29 27.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.96 128.17 11.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -47.32 -30.82 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 178.78 -162.29 29.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.587 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -156.22 152.25 27.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.077 HD12 HD12 ' A' ' 48' ' ' LEU . 13.6 mt -117.36 115.71 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.615 ' CE1' ' HG3' ' A' ' 66' ' ' ARG . 0.7 OUTLIER -64.05 128.74 37.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.616 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.407 ' HA ' ' SG ' ' A' ' 68' ' ' CYS . 25.9 mt -106.03 16.6 24.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.615 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -70.94 87.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.73 20.33 66.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 19.9 p -61.25 176.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.6 t -135.07 140.09 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.954 HG11 HG23 ' A' ' 112' ' ' ILE . 25.6 t -110.58 138.92 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -158.23 168.74 26.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.46 162.43 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.706 HG13 ' CA ' ' A' ' 88' ' ' PHE . 14.0 m -90.38 -167.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -152.3 22.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.1 m -40.11 -70.08 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 174.03 143.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.0 t -177.46 81.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -178.09 -64.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.88 -40.86 1.25 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.19 139.6 10.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -168.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.68 116.46 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -152.44 -50.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.282 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -148.09 129.75 15.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -74.12 -147.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -85.11 114.29 22.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.637 HD12 HG21 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -123.52 170.48 10.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.706 ' CA ' HG13 ' A' ' 73' ' ' VAL . 19.4 p90 -156.7 148.84 23.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.544 ' OE1' HD11 ' A' ' 91' ' ' ILE . 3.9 tt0 -99.87 136.76 39.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.792 ' CD1' HD13 ' A' ' 115' ' ' ILE . 75.7 mt -130.03 116.91 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.544 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.4 mt -95.55 144.11 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.477 HG21 ' CG2' ' A' ' 63' ' ' ILE . 36.9 p -106.46 -172.2 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.41 1.069 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 66' ' ' ARG . . . -72.73 -7.7 51.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.815 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -105.62 2.14 27.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.504 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.3 mt-10 77.41 4.49 3.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.815 HG23 ' HB3' ' A' ' 94' ' ' ASP . 48.9 t -66.11 128.93 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.6 m-70 -100.91 144.3 30.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.607 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.637 ' CE1' HG12 ' A' ' 96' ' ' VAL . 79.0 m-85 -135.6 127.39 29.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -105.86 109.02 20.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.668 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -116.3 132.6 56.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.577 ' HG3' HD23 ' A' ' 87' ' ' LEU . 1.8 tt0 -97.35 131.01 44.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.781 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -103.24 124.65 49.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -39.67 -62.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.4 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 51.4 p -99.27 162.81 20.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -74.96 -18.27 18.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.6 ttpp -79.0 -28.42 43.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.781 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 2.4 tp10 -73.08 -41.47 64.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.731 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.7 tmm_? -46.16 -49.83 16.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.496 ' CG2' ' HD2' ' A' ' 113' ' ' LYS . 2.5 m -68.11 -63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 109' ' ' THR . 8.4 mt-10 -35.27 -57.74 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.671 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 3.0 m95 -49.8 -57.8 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 107.979 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.954 HG23 HG11 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -46.49 -63.82 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.556 ' N ' HG22 ' A' ' 112' ' ' ILE . 5.2 mtpt -50.19 -37.13 33.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -58.14 -51.93 67.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.792 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.6 mt -57.02 -52.31 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 117' ' ' MET . 38.6 mt-30 -49.43 -62.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.438 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.5 OUTLIER -36.89 -48.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -68.87 -53.75 19.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 60.4 p -46.85 -48.77 20.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.479 ' C ' HG22 ' A' ' 121' ' ' THR . 0.2 OUTLIER -58.0 -48.21 80.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 110.303 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.517 ' OG1' ' N ' ' A' ' 122' ' ' GLY . 3.8 t 45.11 -172.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.42 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.517 ' N ' ' OG1' ' A' ' 121' ' ' THR . . . -137.64 79.81 0.3 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.02 78.49 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.11 90.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -178.47 -161.88 27.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -176.45 2.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.46 1.768 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 27.8 m -129.09 81.45 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.8 m 53.7 99.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.962 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.127 . . . . 0.0 110.998 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.05 135.47 48.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -158.03 90.02 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.48 65.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 p -69.14 158.37 35.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.964 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.0 m 47.62 89.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.024 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.9 -147.54 6.06 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.509 HG22 ' H ' ' A' ' 9' ' ' ILE . 7.8 p -142.17 170.88 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 0.798 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.509 ' H ' HG22 ' A' ' 8' ' ' VAL . 3.4 mm -47.86 150.52 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -130.51 144.49 51.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.518 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . 15.3 mttt -90.78 -169.82 2.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -95.66 -38.19 10.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.338 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.568 ' HG3' ' CE1' ' A' ' 14' ' ' PHE . 1.5 pm0 -66.44 -11.26 50.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CE1' ' HG3' ' A' ' 13' ' ' GLU . 10.8 m-85 -112.82 22.67 14.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.5 mmm-85 -88.88 40.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -137.19 -137.22 3.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.434 HG22 ' H ' ' A' ' 18' ' ' ILE . 1.8 p -143.53 170.47 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.512 ' C ' HD13 ' A' ' 19' ' ' ILE . 32.0 mt -105.06 166.03 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.908 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -140.85 -44.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -133.8 145.98 50.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.613 ' HG2' HG23 ' A' ' 40' ' ' ILE . 32.2 mt-30 -152.61 145.01 24.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.41 -158.33 31.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 37' ' ' ARG . 93.5 m -124.75 140.26 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.473 ' C ' HD22 ' A' ' 25' ' ' LEU . 78.2 mt -131.71 166.8 20.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.816 HD11 HG22 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -104.29 99.48 9.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -85.39 112.33 20.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.56 159.38 6.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.06 62.33 0.51 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -102.85 176.82 5.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 109.574 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.87 -33.65 57.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -104.08 -91.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 33' ' ' ASN . 6.3 tmtm? -148.9 -57.59 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 32' ' ' LYS . 2.7 t30 -39.69 146.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -75.1 -176.66 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 107.982 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.17 120.59 13.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.816 HG22 HD11 ' A' ' 25' ' ' LEU . 39.5 t -64.42 141.69 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 1.0 OUTLIER -153.13 148.2 26.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -85.34 128.31 34.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CD2' HD11 ' A' ' 48' ' ' LEU . 9.9 m-85 -124.79 121.36 34.37 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.761 ' O ' HD22 ' A' ' 48' ' ' LEU . 86.0 mt -113.75 133.76 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.9 tp -108.02 138.18 44.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 45' ' ' PRO . 14.9 mtt85 -138.74 121.06 15.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.908 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -100.32 143.31 30.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.514 ' N ' ' C ' ' A' ' 45' ' ' PRO . 27.8 t70 51.06 76.51 0.54 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.514 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.05 169.62 74.06 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.954 0.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.13 95.71 7.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.537 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 6.4 m-85 -144.07 146.58 32.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.05 HD12 HD12 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -120.34 110.54 16.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.805 ' ND1' ' HB2' ' A' ' 62' ' ' ALA . 59.4 m-70 -108.35 144.91 35.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.578 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 4.6 p90 -128.95 144.51 51.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.717 ' CE1' HD12 ' A' ' 40' ' ' ILE . 0.8 OUTLIER -131.35 166.19 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.427 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 3.6 t70 -70.42 132.55 87.62 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.6 5.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.771 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.427 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -53.75 -26.75 24.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . 128.75 114.1 1.75 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -159.02 -174.24 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -123.71 -65.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -73.85 135.64 77.42 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.577 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.98 130.74 13.58 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.593 ' H ' HD22 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -39.75 -45.8 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.454 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . -170.39 -171.35 35.71 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.805 ' HB2' ' ND1' ' A' ' 49' ' ' HIS . . . -140.17 170.93 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.05 HD12 HD12 ' A' ' 48' ' ' LEU . 14.7 mt -132.65 117.4 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 3.7 t-160 -61.64 127.79 33.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.642 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 47' ' ' TYR . 21.9 mt -108.47 7.72 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.43 -61.31 2.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.14 36.08 2.81 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.8 p -74.29 179.82 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.9 t -146.31 149.99 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.886 HG11 HG23 ' A' ' 112' ' ' ILE . 42.4 t -116.63 142.5 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.58 168.59 26.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.88 154.99 26.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.009 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.601 HG23 ' H ' ' A' ' 75' ' ' SER . 30.9 m -98.18 -171.85 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -100.89 14.28 32.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.601 ' H ' HG23 ' A' ' 73' ' ' VAL . 1.5 t -98.61 126.78 44.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -169.81 169.49 8.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.53 98.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -84.28 101.47 11.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.43 -175.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -56.45 13.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 110.281 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -74.17 142.01 45.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.8 t -90.71 117.35 29.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -133.14 -59.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.328 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -142.04 125.09 16.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -87.24 -156.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -68.3 118.77 11.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.553 HD22 ' HB2' ' A' ' 101' ' ' GLN . 0.5 OUTLIER -114.78 175.22 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 24.1 p90 -169.74 152.25 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.59 ' OE1' ' CD1' ' A' ' 99' ' ' PHE . 0.7 OUTLIER -103.55 136.95 42.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.658 ' CD1' HD13 ' A' ' 115' ' ' ILE . 60.5 mt -126.15 103.92 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -80.26 137.94 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.593 HG22 ' CG2' ' A' ' 63' ' ' ILE . 48.2 p -97.5 -165.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.48 -19.96 51.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.881 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.7 OUTLIER -94.26 0.9 55.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.8 mt-10 83.82 -0.54 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.881 HG23 ' HB3' ' A' ' 94' ' ' ASP . 44.5 t -59.47 132.53 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 3.6 m-70 -107.49 141.66 38.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.552 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -133.05 128.78 37.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.59 ' CD1' ' OE1' ' A' ' 89' ' ' GLU . 71.7 m-85 -103.8 107.61 18.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.3 mm? -108.51 170.18 8.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.553 ' HB2' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -136.38 133.65 36.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.414 ' HB1' ' HG2' ' A' ' 107' ' ' GLU . . . -105.86 149.12 26.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.16 -66.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.6 p -87.87 162.93 39.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.417 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.15 15.08 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.5 1.789 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.36 -35.61 54.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.414 ' HG2' ' HB1' ' A' ' 102' ' ' ALA . 5.3 tt0 -60.64 -56.66 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.726 ' O ' HD12 ' A' ' 112' ' ' ILE . 6.2 ttp180 -38.98 -48.49 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -68.91 -53.02 23.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -46.51 -54.27 9.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.536 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 7.0 m95 -49.01 -61.54 2.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 107.971 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.886 HG23 HG11 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -39.68 -64.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.508 ' N ' HG22 ' A' ' 112' ' ' ILE . 27.5 mtmt -54.23 -42.77 70.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -53.57 -58.48 7.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.658 HD13 ' CD1' ' A' ' 90' ' ' ILE . 4.7 mt -54.25 -44.96 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.612 ' HG2' HG21 ' A' ' 70' ' ' VAL . 3.8 mt-30 -55.67 -59.61 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.527 ' SD ' HG21 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -40.83 -44.18 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 0.0 110.985 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.445 ' HA ' ' CB ' ' A' ' 43' ' ' GLU . . . -70.99 -68.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 118' ' ' ALA . 55.0 p -36.37 -58.12 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.412 ' HD2' ' O ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -69.91 -37.72 76.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER 38.43 73.97 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.387 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -84.72 52.66 4.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -76.12 -74.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.8 t -95.82 147.77 23.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.87 159.53 15.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 68.62 5.69 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 27.2 p -65.61 153.75 40.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.2 m -117.03 100.39 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 p -141.34 -58.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 m 50.29 83.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.43 68.72 2.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -177.68 121.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.967 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.53 134.7 51.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.65 56.34 0.27 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.8 t -129.74 152.28 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.523 ' HA ' HD13 ' A' ' 9' ' ' ILE . 4.1 mm -44.19 153.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.509 HD13 ' C ' ' A' ' 10' ' ' LEU . 1.2 tm? -125.94 106.81 9.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 8.0 mtmm -54.91 -170.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -103.69 -44.98 4.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' HG3' ' CE1' ' A' ' 14' ' ' PHE . 3.1 pt-20 -61.55 -14.58 30.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 13' ' ' GLU . 21.6 m-85 -113.51 29.1 8.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.499 ' CD ' HD12 ' A' ' 10' ' ' LEU . 5.3 mmm180 -88.45 -43.87 11.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.37 -160.76 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.533 HG22 ' H ' ' A' ' 18' ' ' ILE . 7.4 p -126.7 171.49 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.825 HG21 ' CD ' ' A' ' 21' ' ' GLN . 50.9 mm -90.6 143.64 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.431 HG21 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -112.85 -35.19 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -155.69 148.93 24.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.825 ' CD ' HG21 ' A' ' 18' ' ' ILE . 46.0 mt-30 -145.66 168.54 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.23 -174.68 28.74 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.2 m -108.92 134.71 51.23 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.531 HD11 ' CE2' ' A' ' 111' ' ' TRP . 32.9 mt -130.39 158.94 38.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.791 ' CD1' HG22 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -94.45 99.89 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HE2' ' CD1' ' A' ' 98' ' ' TYR . 20.5 tttt -86.08 98.07 10.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.99 160.16 21.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.12 -151.47 2.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -95.79 -65.91 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 0.764 . . . . 0.0 109.618 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -43.38 78.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.45 -53.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt 49.95 -172.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -104.98 129.6 53.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -45.28 123.7 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 107.981 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 5.8 mtpt -126.18 162.55 25.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.791 HG22 ' CD1' ' A' ' 25' ' ' LEU . 36.6 t -107.58 142.29 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.69 150.44 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.554 ' HE2' HD11 ' A' ' 40' ' ' ILE . 3.2 tttm -80.39 142.18 34.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.651 ' CD2' HD11 ' A' ' 48' ' ' LEU . 12.1 m-85 -136.34 122.84 20.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.776 HD12 ' CE1' ' A' ' 51' ' ' TYR . 69.1 mt -119.46 130.17 74.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.5 tp -107.8 136.84 46.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.401 ' HA ' ' CD1' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -139.74 124.84 18.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -100.33 142.67 31.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.52 ' N ' ' C ' ' A' ' 45' ' ' PRO . 4.8 m-20 54.36 76.11 0.55 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.52 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.03 168.99 75.78 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.976 -2.51 . . . . 0.0 110.999 0.019 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.41 100.9 12.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -149.8 160.45 43.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.083 HD12 HD12 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -129.92 110.37 11.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.672 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 71.7 m80 -105.42 139.82 39.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 2.0 p90 -125.79 150.2 47.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.776 ' CE1' HD12 ' A' ' 40' ' ' ILE . 1.2 m-85 -136.0 163.71 29.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.664 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 5.9 t70 -74.75 140.27 74.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -40.4 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.664 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -46.71 -43.19 17.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.29 131.22 2.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -161.26 -161.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -128.5 -62.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.85 152.3 40.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.575 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -75.03 134.37 17.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.573 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -40.07 -46.44 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.55 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . -171.48 -163.24 25.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.672 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -143.93 162.75 35.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.083 HD12 HD12 ' A' ' 48' ' ' LEU . 13.2 mt -124.45 116.87 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.569 ' CE1' ' HG3' ' A' ' 66' ' ' ARG . 0.8 OUTLIER -58.59 132.11 52.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.607 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.8 mt -115.03 -1.01 13.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -38.53 -64.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -129.2 35.37 2.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.9 p -67.6 171.58 6.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.05 146.06 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.142 HG11 HG23 ' A' ' 112' ' ' ILE . 39.7 t -113.12 140.67 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.416 HG22 ' HB3' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -157.52 172.99 17.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.45 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.97 147.74 43.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.832 HG22 ' O ' ' A' ' 87' ' ' LEU . 33.2 m -78.14 -176.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -104.97 -38.1 6.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.8 p 44.45 70.86 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 77' ' ' SER . 9.8 p30 -53.02 150.21 5.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 1.4 m 166.93 108.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.064 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -82.93 110.14 17.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.83 -132.08 11.59 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.54 89.26 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.58 165.15 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.18 119.36 39.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -154.64 -64.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -145.22 127.21 15.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -64.35 -147.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -92.85 111.72 23.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.832 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -126.4 174.26 8.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.624 ' HA ' HG13 ' A' ' 73' ' ' VAL . 19.0 p90 -153.89 148.4 26.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.416 ' HB3' HG22 ' A' ' 71' ' ' THR . 40.2 tt0 -100.24 133.33 44.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.653 ' CD1' HD13 ' A' ' 115' ' ' ILE . 89.2 mt -124.96 106.03 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.401 HG12 ' ND1' ' A' ' 97' ' ' HIS . 2.6 mt -83.76 142.49 13.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.614 HG21 HG23 ' A' ' 63' ' ' ILE . 31.7 p -106.38 -179.09 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.451 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.98 -12.94 58.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.803 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.6 OUTLIER -98.06 0.21 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.588 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.5 mt-10 77.73 4.46 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.803 HG23 ' HB3' ' A' ' 94' ' ' ASP . 45.2 t -67.53 130.14 32.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 3.2 m-70 -103.82 147.14 27.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.563 ' CD1' ' HE2' ' A' ' 26' ' ' LYS . 38.3 m-85 -141.57 123.77 15.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -98.89 107.2 19.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 1.6 mm? -108.59 128.59 54.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.573 ' HB2' HD22 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -93.97 116.04 28.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.448 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -83.42 142.03 31.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.36 -62.36 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.4 p -106.62 167.53 9.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -8.09 19.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -88.57 -35.06 17.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.448 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 2.3 tp10 -68.13 -44.19 76.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.586 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -50.15 -46.6 54.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -69.34 -42.31 75.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.399 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.2 mt-10 -59.39 -56.39 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.687 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 9.7 m95 -42.28 -61.88 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 108.061 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.142 HG23 HG11 ' A' ' 70' ' ' VAL . 2.4 mt -40.16 -68.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.486 ' N ' HG22 ' A' ' 112' ' ' ILE . 1.3 mtmt -51.33 -31.81 23.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -65.51 -58.14 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.653 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.5 mt -59.28 -39.02 77.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.898 ' HG2' HG21 ' A' ' 70' ' ' VAL . 3.1 mm100 -61.74 -49.18 77.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.487 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -49.47 -43.87 45.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.67 -57.56 4.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 91.6 p -51.84 -31.12 26.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 116' ' ' GLN . 38.0 mmt-85 -59.0 -31.97 69.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.0 p 45.24 -167.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -127.91 17.6 6.01 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 79.22 150.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.76 88.98 3.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 170.0 -162.96 36.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -46.98 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.04 143.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 48.84 89.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.435 HG22 ' N ' ' A' ' 18' ' ' ILE . 10.4 p . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.489 HD13 ' HA ' ' A' ' 18' ' ' ILE . 13.3 mm -91.84 143.89 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.453 ' CG2' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -115.37 -36.92 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HG2' ' CH2' ' A' ' 111' ' ' TRP . 30.7 tttp -156.22 146.76 21.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.472 ' HG2' HG23 ' A' ' 40' ' ' ILE . 34.8 mt-30 -144.29 147.87 34.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.32 -171.08 43.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.6 m -106.61 135.11 48.7 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 101' ' ' GLN . 13.5 mt -131.1 157.1 44.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.793 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -103.69 100.43 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 37.8 tttt -84.33 127.84 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.791 HG22 HD11 ' A' ' 25' ' ' LEU . 39.3 t -58.98 138.42 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.84 141.42 19.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 10.8 tttt -79.98 98.39 7.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.686 ' CD2' HD11 ' A' ' 48' ' ' LEU . 5.2 m-85 -87.73 113.27 23.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.872 HD12 ' CE1' ' A' ' 51' ' ' TYR . 72.4 mt -106.67 129.87 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.423 HD23 HG13 ' A' ' 19' ' ' ILE . 19.9 tp -107.6 136.78 46.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 45' ' ' PRO . 1.8 ptm180 -139.05 124.55 19.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -100.01 141.29 33.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.523 ' N ' ' C ' ' A' ' 45' ' ' PRO . 39.9 t0 56.75 75.81 0.54 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.523 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.0 169.97 73.12 Favored 'Cis proline' 0 C--N 1.359 1.107 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.966 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.72 98.74 9.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.684 ' CZ ' ' CD2' ' A' ' 64' ' ' HIS . 6.5 m-85 -145.64 157.81 43.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.873 HD12 HD12 ' A' ' 63' ' ' ILE . 1.3 tm? -123.66 110.69 15.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.157 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.791 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 58.5 m80 -105.95 140.31 39.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 27.2 p90 -130.09 120.96 25.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.872 ' CE1' HD12 ' A' ' 40' ' ' ILE . 17.2 m-85 -106.96 175.04 5.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.711 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 7.7 t70 -87.53 139.13 31.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.47 ' HG3' HG12 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -75.03 -37.05 2.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.711 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -49.31 -41.59 38.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.49 -95.24 0.11 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.575 1.172 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 62.15 -175.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -137.74 -55.25 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.84 163.26 22.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.518 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.0 133.27 16.37 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 1.3 mt -52.45 -28.19 19.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -178.83 -154.27 12.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.791 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -164.21 150.49 11.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.873 HD12 HD12 ' A' ' 48' ' ' LEU . 9.7 mt -117.51 119.06 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.684 ' CD2' ' CZ ' ' A' ' 47' ' ' TYR . 4.7 t-160 -65.51 139.22 58.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.568 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.438 HD22 ' SG ' ' A' ' 68' ' ' CYS . 14.2 mt -125.03 7.13 7.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.5 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 7.1 ptt180 -45.56 -27.16 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -165.27 36.75 0.27 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.466 1.103 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.438 ' SG ' HD22 ' A' ' 65' ' ' LEU . 31.1 p -72.1 172.12 10.7 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.4 t -132.38 146.72 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.997 HG11 HG23 ' A' ' 112' ' ' ILE . 31.8 t -113.43 139.83 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.84 158.47 36.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.411 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.23 157.6 16.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.656 HG21 ' HB2' ' A' ' 87' ' ' LEU . 26.9 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.538 ' O ' HD23 ' A' ' 87' ' ' LEU . 86.5 m-20 58.03 86.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.656 ' HB2' HG21 ' A' ' 73' ' ' VAL . 2.1 mt -132.76 170.34 15.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 25.9 p90 -168.99 146.76 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 90' ' ' ILE . 1.1 tt0 -99.93 136.5 39.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.428 ' N ' ' HG2' ' A' ' 89' ' ' GLU . 82.7 mt -126.17 103.53 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -79.51 139.67 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.8 p -101.89 -171.54 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.431 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.32 -18.57 61.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.616 ' HB3' HG23 ' A' ' 96' ' ' VAL . 2.1 m-20 -94.21 0.04 55.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.5 mt-10 80.93 0.2 1.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.616 HG23 ' HB3' ' A' ' 94' ' ' ASP . 40.0 t -58.94 135.98 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 8.8 m-70 -108.07 139.9 42.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.603 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -137.42 125.18 22.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -102.95 107.27 18.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.7 mm? -101.45 173.65 6.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.628 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -139.59 128.03 22.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.539 ' HB1' ' HG2' ' A' ' 107' ' ' GLU . . . -99.55 145.01 27.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.64 -63.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.1 p -91.99 162.14 31.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.438 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -9.22 20.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.791 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -90.58 -33.69 15.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.539 ' HG2' ' HB1' ' A' ' 102' ' ' ALA . 1.9 tt0 -65.67 -45.05 84.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.702 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -49.0 -47.61 44.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -70.62 -52.69 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.445 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.3 mt-10 -48.73 -53.52 18.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.257 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.651 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 2.9 m95 -47.19 -62.14 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.997 HG23 HG11 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -39.82 -66.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 112' ' ' ILE . 23.3 mtmt -52.64 -37.77 59.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -57.18 -57.29 13.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -58.18 -44.99 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.716 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.4 mt-30 -55.59 -50.29 70.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.485 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -50.41 -44.27 55.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -72.48 -57.89 3.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 80.4 p -48.29 -32.5 7.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.507 HG22 ' H ' ' A' ' 18' ' ' ILE . 6.3 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.636 HD12 ' CG2' ' A' ' 40' ' ' ILE . 26.8 mm -91.32 139.22 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.42 HG13 HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -112.75 -31.03 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -158.99 149.33 19.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.25 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.481 ' HG3' ' CG2' ' A' ' 18' ' ' ILE . 30.5 mt-30 -152.23 151.14 30.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.57 178.93 35.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.483 ' O ' HD23 ' A' ' 24' ' ' LEU . 4.1 m -95.57 148.46 22.49 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.507 ' C ' HD22 ' A' ' 25' ' ' LEU . 45.0 mt -141.33 164.32 30.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.806 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -105.99 99.26 8.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' GLN . 16.0 tttt -82.48 107.16 14.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' LYS . 1.8 tm0? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.785 HG22 ' CD1' ' A' ' 25' ' ' LEU . 24.5 t -70.46 137.32 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.82 151.22 31.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -88.1 135.1 33.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.788 ' CD2' HD11 ' A' ' 48' ' ' LEU . 15.0 m-85 -130.1 120.87 25.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.954 HD12 ' CE1' ' A' ' 51' ' ' TYR . 89.9 mt -113.23 130.7 66.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.42 HD23 HG13 ' A' ' 19' ' ' ILE . 18.3 tp -108.32 135.16 50.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.52 125.26 18.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -99.67 142.29 31.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.505 ' N ' ' C ' ' A' ' 45' ' ' PRO . 4.4 m-20 57.49 76.65 0.46 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.505 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.0 169.94 73.21 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.009 -0.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.7 99.68 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.447 ' N ' HD12 ' A' ' 65' ' ' LEU . 6.8 m-85 -148.37 166.81 26.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.977 ' CD1' HD12 ' A' ' 63' ' ' ILE . 1.5 tm? -132.53 112.27 11.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.74 ' NE2' ' HB2' ' A' ' 62' ' ' ALA . 38.4 m80 -109.35 129.23 55.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.621 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 7.9 p90 -118.98 121.08 39.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.954 ' CE1' HD12 ' A' ' 40' ' ' ILE . 11.1 m-85 -107.47 151.56 25.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 8.1 t70 -58.8 135.61 86.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -46.95 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.418 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -47.25 -33.4 5.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 146.97 143.71 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 178.93 -178.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -122.53 -63.65 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -87.26 156.47 54.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.555 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.97 139.43 24.35 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.461 1.769 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 4.4 mt -54.93 -32.0 60.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 176.61 -174.46 47.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.74 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . . . -131.71 165.31 24.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.977 HD12 ' CD1' ' A' ' 48' ' ' LEU . 24.4 mt -133.45 116.2 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.612 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 1.9 t-80 -53.86 126.7 23.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.574 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 47' ' ' TYR . 85.5 mt -113.04 -30.23 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.612 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 3.0 mtt-85 -37.3 -47.45 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.78 56.97 0.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.42 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 17.7 p -108.89 177.65 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.6 t -136.52 152.93 30.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.922 HG11 HG23 ' A' ' 112' ' ' ILE . 24.3 t -117.71 139.36 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.49 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -158.74 172.4 18.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.446 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.08 152.51 34.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.5 HG11 ' HB2' ' A' ' 87' ' ' LEU . 20.6 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.541 ' O ' HD23 ' A' ' 87' ' ' LEU . 58.2 m-80 -75.44 131.27 40.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.564 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -139.22 166.04 25.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 9.7 p90 -155.02 144.87 21.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.49 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 10.2 tt0 -99.79 137.48 38.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.854 ' CD1' HD13 ' A' ' 115' ' ' ILE . 87.5 mt -129.62 111.29 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.444 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.5 mt -89.58 146.47 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.692 HG21 HG23 ' A' ' 63' ' ' ILE . 43.0 p -112.96 174.86 5.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.429 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.72 -18.01 27.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.545 ' HB2' HG23 ' A' ' 96' ' ' VAL . 15.5 m-20 -91.91 -5.3 53.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.7 mt-10 81.17 3.65 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.545 HG23 ' HB2' ' A' ' 94' ' ' ASP . 48.6 t -64.7 130.14 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.9 m-70 -102.19 136.83 41.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.636 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.48 ' CE2' HG12 ' A' ' 96' ' ' VAL . 61.6 m-85 -132.96 116.86 16.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -100.29 107.46 19.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.699 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -110.93 151.18 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.564 ' HG3' HD23 ' A' ' 87' ' ' LEU . 3.8 tt0 -109.73 128.92 55.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.401 ' HB1' ' HG2' ' A' ' 107' ' ' GLU . . . -95.07 145.92 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.21 -65.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.403 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 48.1 p -92.84 162.26 29.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.341 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.403 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.99 -13.91 21.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 -28.58 21.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.401 ' HG2' ' HB1' ' A' ' 102' ' ' ALA . 4.5 tt0 -68.44 -49.7 57.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.691 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -45.02 -44.78 10.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.266 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -70.65 -52.15 23.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.391 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.0 mt-10 -48.81 -53.24 20.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.665 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 9.5 m95 -46.77 -60.98 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.922 HG23 HG11 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -41.3 -64.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.521 ' N ' HG22 ' A' ' 112' ' ' ILE . 6.6 mtmt -54.16 -33.38 57.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -62.32 -57.75 10.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.854 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.6 mt -57.64 -42.64 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.797 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.3 mt-30 -58.14 -51.74 68.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.486 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -48.7 -43.98 37.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.434 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -73.13 -61.98 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.2 p -47.16 -32.2 4.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.342 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.416 HG22 ' H ' ' A' ' 18' ' ' ILE . 8.3 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.68 HD12 ' CG2' ' A' ' 40' ' ' ILE . 26.8 mm -99.63 141.0 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -113.79 -32.85 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HD3' ' CE2' ' A' ' 111' ' ' TRP . 8.2 tttp -162.71 141.37 8.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.646 ' HG2' HG23 ' A' ' 40' ' ' ILE . 60.5 mt-30 -133.24 163.04 30.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.53 -178.66 31.19 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.563 1.165 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 90.3 m -105.34 148.9 26.56 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.49 ' C ' HD22 ' A' ' 25' ' ' LEU . 19.4 mt -141.76 164.34 30.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.8 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -104.33 99.75 9.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -89.75 110.57 21.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 8.9 mttt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.786 HG22 HD11 ' A' ' 25' ' ' LEU . 24.1 t -83.73 140.04 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -156.86 149.27 23.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' O ' ' CA ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -79.49 137.86 37.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.71 ' CD2' HD11 ' A' ' 48' ' ' LEU . 9.0 m-85 -133.19 118.32 18.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.694 HD12 ' CE1' ' A' ' 51' ' ' TYR . 68.2 mt -114.19 131.57 65.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.502 HD11 HD13 ' A' ' 65' ' ' LEU . 23.5 tp -107.74 136.14 47.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.447 ' HA ' ' CD1' ' A' ' 19' ' ' ILE . 1.5 ptm180 -139.46 124.7 18.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -100.0 142.78 31.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.338 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.523 ' N ' ' C ' ' A' ' 45' ' ' PRO . 7.0 t0 57.77 75.93 0.51 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.523 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.01 169.66 73.97 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.007 0.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.81 96.45 9.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.4 ' CE1' ' HD2' ' A' ' 64' ' ' HIS . 6.3 m-85 -144.81 162.09 37.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.922 HD12 HD12 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -130.75 110.69 11.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -105.56 136.37 45.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.601 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.519 ' CD1' ' HB2' ' A' ' 60' ' ' LEU . 28.2 p90 -127.97 120.02 26.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.694 ' CE1' HD12 ' A' ' 40' ' ' ILE . 6.0 m-85 -110.5 156.89 20.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 9.7 t70 -59.06 139.06 87.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.41 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -49.4 -34.95 17.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 152.49 148.03 4.75 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.408 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . . . 179.9 -173.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.774 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 82.6 mm-40 -136.03 -62.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -83.65 158.35 62.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.452 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.02 132.8 15.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.519 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 5.5 mt -57.22 -29.02 63.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -178.49 -174.86 45.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.07 151.52 47.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 0.733 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.922 HD12 HD12 ' A' ' 48' ' ' LEU . 10.4 mt -128.32 116.46 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.547 ' CE1' ' HB3' ' A' ' 66' ' ' ARG . 2.8 t-160 -60.91 128.04 34.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.569 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.502 HD13 HD11 ' A' ' 41' ' ' LEU . 86.8 mt -111.96 -15.7 13.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.547 ' HB3' ' CE1' ' A' ' 64' ' ' HIS . 0.3 OUTLIER -44.73 -62.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.86 48.72 0.91 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 15.4 p -95.56 176.72 6.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.2 t -138.48 145.85 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.978 HG11 HG23 ' A' ' 112' ' ' ILE . 36.0 t -111.04 139.91 32.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.497 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -158.56 174.17 15.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.22 158.52 21.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.731 HG13 ' HA ' ' A' ' 88' ' ' PHE . 13.4 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -86.58 113.78 22.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.568 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -124.88 166.71 15.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.345 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.731 ' HA ' HG13 ' A' ' 73' ' ' VAL . 13.3 p90 -154.62 150.94 28.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.497 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 11.6 tt0 -99.96 139.81 35.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.549 ' CD1' HD13 ' A' ' 115' ' ' ILE . 98.8 mt -132.32 105.82 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.471 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.5 mt -83.95 146.4 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.525 HG21 HG23 ' A' ' 63' ' ' ILE . 73.4 p -111.26 175.05 5.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.35 -20.51 55.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.785 ' HB3' HG23 ' A' ' 96' ' ' VAL . 13.4 t70 -91.91 -1.5 57.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.6 mt-10 80.58 1.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.785 HG23 ' HB3' ' A' ' 94' ' ' ASP . 47.7 t -61.54 132.13 26.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 8.1 m-70 -105.62 146.07 30.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.558 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -140.91 133.71 28.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -109.15 109.41 20.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.687 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -113.01 132.38 55.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.477 ' HB3' HD23 ' A' ' 25' ' ' LEU . 0.9 OUTLIER -97.33 123.82 41.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.65 ' HB3' ' HB2' ' A' ' 108' ' ' ARG . . . -94.78 132.22 39.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.66 -61.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.7 p -106.83 167.88 8.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.457 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.23 21.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -77.85 -48.62 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.424 ' HG3' ' CD1' ' A' ' 111' ' ' TRP . 1.7 tp10 -58.17 -49.52 76.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.65 ' HB2' ' HB3' ' A' ' 102' ' ' ALA . 2.3 tmm_? -47.55 -42.68 24.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -73.8 -38.73 64.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.375 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 114' ' ' ALA . 10.4 mt-10 -63.76 -52.0 62.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.607 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 11.6 m95 -48.88 -60.74 2.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 107.96 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.978 HG23 HG11 ' A' ' 70' ' ' VAL . 1.2 mt -40.02 -61.78 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.442 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -57.38 -36.3 71.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -57.95 -54.72 43.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.549 HD13 ' CD1' ' A' ' 90' ' ' ILE . 1.9 mp -60.14 -43.08 92.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.751 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.1 mt-30 -57.9 -48.88 78.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -51.49 -45.23 62.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -72.27 -64.85 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.0 p -45.43 -34.26 3.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.033 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 4.8 mt -83.9 160.04 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.766 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -119.2 -40.11 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HZ1' ' HB3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -156.46 131.98 9.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.436 ' NE2' HD13 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -152.33 158.9 43.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.73 -115.96 0.55 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.438 ' O ' HD23 ' A' ' 24' ' ' LEU . 1.7 p -148.17 136.1 21.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.501 HD11 ' CD1' ' A' ' 111' ' ' TRP . 18.0 mt -136.58 162.34 33.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.869 HD11 HG22 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -104.31 99.53 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -85.7 128.22 34.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.869 HG22 HD11 ' A' ' 25' ' ' LEU . 42.6 t -61.21 145.77 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.35 144.72 22.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -86.29 102.36 13.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.828 ' CD2' HD11 ' A' ' 48' ' ' LEU . 12.2 m-85 -96.29 118.27 32.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.924 HD12 ' CE1' ' A' ' 51' ' ' TYR . 21.6 mt -111.04 128.25 67.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 18' ' ' ILE . 16.2 tp -108.32 137.19 46.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.87 130.26 21.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.766 ' HG2' HD12 ' A' ' 19' ' ' ILE . 1.4 pt-20 -100.32 141.01 33.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.511 ' N ' ' C ' ' A' ' 45' ' ' PRO . 4.8 m-20 58.42 76.76 0.44 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.511 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.05 170.16 72.61 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.984 0.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.84 96.08 7.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -144.66 163.38 34.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.955 HD12 HD12 ' A' ' 63' ' ' ILE . 1.3 tm? -129.54 111.67 12.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -102.47 139.25 38.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.562 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 21.6 p90 -127.31 120.07 27.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.924 ' CE1' HD12 ' A' ' 40' ' ' ILE . 17.5 m-85 -107.65 175.71 5.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.449 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 3.1 t70 -91.31 145.43 31.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -50.88 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.466 1.771 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.449 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -43.36 -42.92 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 148.19 144.46 3.98 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 111.029 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -167.76 169.2 11.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.83 -60.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.38 166.17 12.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 134.0 17.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.417 1.746 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.58 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 3.5 mt -45.34 -29.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.51 -156.79 24.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -148.52 159.23 44.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 0.752 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.955 HD12 HD12 ' A' ' 48' ' ' LEU . 42.7 mt -123.86 123.09 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.622 ' CE1' ' CB ' ' A' ' 66' ' ' ARG . 3.9 t-80 -63.17 123.35 18.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.558 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 48' ' ' LEU . 80.9 mt -109.99 -14.85 14.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.622 ' CB ' ' CE1' ' A' ' 64' ' ' HIS . 9.7 ttt180 -37.54 -66.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -119.46 49.54 0.87 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.428 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 19.8 p -90.46 166.95 12.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.5 t -123.35 152.3 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.03 HG11 HG23 ' A' ' 112' ' ' ILE . 32.0 t -119.24 138.08 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -157.9 157.91 34.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.86 146.31 28.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.001 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.861 HG13 ' HA ' ' A' ' 88' ' ' PHE . 14.2 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -75.78 111.02 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.655 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -118.31 173.53 6.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.861 ' HA ' HG13 ' A' ' 73' ' ' VAL . 23.8 p90 -157.51 147.53 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.484 ' OE1' HD11 ' A' ' 91' ' ' ILE . 12.3 tt0 -100.06 138.67 36.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.818 ' CD1' HD13 ' A' ' 115' ' ' ILE . 98.2 mt -131.16 104.37 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.484 HD11 ' OE1' ' A' ' 89' ' ' GLU . 3.0 mt -81.16 141.31 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.624 HG21 HG23 ' A' ' 63' ' ' ILE . 72.6 p -106.97 174.67 5.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.403 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.25 -17.96 23.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.857 ' HB3' HG23 ' A' ' 96' ' ' VAL . 11.9 t70 -93.97 -1.53 54.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.496 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 79.28 3.08 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.857 HG23 ' HB3' ' A' ' 94' ' ' ASP . 40.2 t -63.94 127.85 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.496 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.7 m-70 -100.37 133.3 44.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.576 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -125.94 124.47 40.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 111.054 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -104.38 107.79 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.608 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -110.9 145.07 38.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.541 ' HB2' HD22 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -106.25 126.93 52.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.26 148.71 21.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -58.75 5.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.41 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 31.3 p -102.37 162.27 20.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.398 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.5 Cg_endo -75.01 -5.75 17.18 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.445 1.76 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -93.38 -30.48 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.42 ' OE1' ' CE ' ' A' ' 20' ' ' LYS . 3.4 tp10 -67.18 -56.12 11.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.884 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -38.5 -43.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -72.13 -49.04 39.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.361 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.513 ' HB3' ' HZ1' ' A' ' 20' ' ' LYS . 6.7 mt-10 -53.05 -57.3 10.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.651 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 1.5 m95 -42.65 -59.55 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 108.009 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.03 HG23 HG11 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -40.88 -64.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.497 ' N ' HG22 ' A' ' 112' ' ' ILE . 12.8 mttt -55.34 -33.19 63.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -61.53 -54.25 45.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.818 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.7 mt -61.98 -47.07 94.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.915 ' HG2' HG21 ' A' ' 70' ' ' VAL . 3.2 mt-30 -53.91 -49.32 68.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.438 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.6 OUTLIER -50.6 -49.14 57.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.438 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -68.25 -57.38 6.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 82.2 p -49.38 -34.04 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 19' ' ' ILE . 22.4 mt -95.49 168.33 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.548 ' N ' HG22 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -140.88 -44.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HG2' ' CZ2' ' A' ' 111' ' ' TRP . 36.0 tttt -137.74 149.45 46.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.554 ' HG2' HG23 ' A' ' 40' ' ' ILE . 40.5 mt-30 -153.07 160.09 42.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.248 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.68 -162.63 30.07 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.7 m -114.17 144.04 43.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.572 ' C ' HD22 ' A' ' 25' ' ' LEU . 56.8 mt -139.27 167.31 22.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.821 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -107.41 99.2 8.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -88.5 128.39 35.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.481 HG22 HD11 ' A' ' 25' ' ' LEU . 3.4 t -104.0 130.1 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -145.5 152.31 39.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -83.88 139.9 32.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.565 ' CD1' HD11 ' A' ' 48' ' ' LEU . 11.8 m-85 -132.08 127.32 35.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.807 HD12 ' CE1' ' A' ' 51' ' ' TYR . 62.0 mt -121.36 129.52 75.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 tp -108.18 135.0 50.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -134.56 128.8 33.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.477 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -104.24 138.79 40.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.517 ' N ' ' C ' ' A' ' 45' ' ' PRO . 2.0 t70 55.2 76.28 0.52 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.517 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.0 170.45 71.83 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.005 -0.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.87 96.33 7.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.698 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 11.4 m-85 -144.47 153.3 41.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.976 HD12 HD12 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -124.57 111.52 15.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.876 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 76.2 m80 -105.57 143.93 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.595 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.489 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 6.2 p90 -129.67 133.46 47.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.807 ' CE1' HD12 ' A' ' 40' ' ' ILE . 11.4 m-85 -119.64 161.17 21.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.447 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 14.3 t70 -71.92 137.84 82.38 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -48.07 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.447 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -48.51 -27.45 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.85 149.38 5.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . . . -179.01 -171.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -130.61 -67.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.41 158.94 54.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.2 22.68 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.454 1.765 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 2.2 mt -60.0 -16.17 28.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 162.56 -157.17 29.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.538 1.149 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.876 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -161.55 149.52 15.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.976 HD12 HD12 ' A' ' 48' ' ' LEU . 17.3 mt -113.09 116.87 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.698 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 3.5 t-160 -63.49 135.11 56.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.571 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.8 mt -122.25 8.65 9.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.464 ' HD3' ' CE1' ' A' ' 64' ' ' HIS . 23.1 ptt180 -46.53 -25.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 66' ' ' ARG . . . -169.17 37.16 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.4 p -72.26 169.19 16.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.8 t -121.13 147.28 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.943 HG11 HG23 ' A' ' 112' ' ' ILE . 25.6 t -117.61 139.17 45.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.02 167.27 30.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.429 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.54 149.75 28.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.772 HG13 ' HA ' ' A' ' 88' ' ' PHE . 35.7 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -82.15 111.16 18.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.635 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -130.48 176.17 8.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.772 ' HA ' HG13 ' A' ' 73' ' ' VAL . 16.5 p90 -161.21 146.82 14.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -99.83 128.78 45.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.599 ' CD1' HD13 ' A' ' 115' ' ' ILE . 87.1 mt -121.37 104.41 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.5 mt -81.05 142.86 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.485 HG21 HG23 ' A' ' 63' ' ' ILE . 82.2 p -105.07 177.81 4.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.29 -15.85 58.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.88 ' HB3' HG23 ' A' ' 96' ' ' VAL . 12.3 t0 -96.57 -1.38 47.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.583 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.3 mt-10 83.11 -2.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.88 HG23 ' HB3' ' A' ' 94' ' ' ASP . 46.7 t -59.97 131.37 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 7.4 m-70 -104.54 147.75 27.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.442 ' CE2' HG12 ' A' ' 96' ' ' VAL . 56.9 m-85 -143.06 123.37 13.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -102.13 107.9 19.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.9 OUTLIER -110.33 132.41 54.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.635 ' HG3' HD23 ' A' ' 87' ' ' LEU . 1.8 tt0 -97.08 135.8 38.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.557 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -103.67 154.48 19.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.18 -57.68 5.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.413 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 26.7 p -101.08 162.48 20.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.362 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -74.96 -6.32 17.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.5 -36.02 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.557 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 0.6 OUTLIER -61.79 -46.96 87.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.34 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.717 ' O ' HD12 ' A' ' 112' ' ' ILE . 6.4 tmm_? -50.13 -43.89 52.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.25 -51.25 32.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.0 mt-10 -50.97 -58.52 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.717 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 11.8 m95 -41.71 -58.63 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 107.998 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.943 HG23 HG11 ' A' ' 70' ' ' VAL . 1.6 mt -43.41 -67.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.491 ' N ' HG22 ' A' ' 112' ' ' ILE . 7.7 mtmt -54.5 -23.75 17.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -73.17 -58.65 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.599 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.0 mt -55.35 -38.86 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.671 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.4 mt-30 -61.21 -57.13 13.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.49 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -40.73 -42.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -76.05 -48.97 18.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 52.4 p -50.15 -38.83 41.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 116' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 23.7 mt -99.48 165.69 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.49 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -132.1 -43.56 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -146.52 149.55 33.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.497 ' HG2' HG23 ' A' ' 40' ' ' ILE . 32.5 mt-30 -149.81 160.48 43.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.47 -171.9 34.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 92.6 m -106.66 147.15 29.89 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.555 ' C ' HD22 ' A' ' 25' ' ' LEU . 60.4 mt -141.94 170.63 15.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.861 ' CD1' HG22 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -108.91 99.47 8.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 8.1 tttt -82.01 114.44 20.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.861 HG22 ' CD1' ' A' ' 25' ' ' LEU . 36.9 t -67.73 142.43 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -156.75 150.57 24.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.311 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 13.2 tttt -85.64 138.99 31.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.563 ' CD2' HD11 ' A' ' 48' ' ' LEU . 8.3 m-85 -131.83 118.7 20.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.833 HD12 ' CE1' ' A' ' 51' ' ' TYR . 81.6 mt -112.95 129.88 67.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.9 tp -107.73 137.58 45.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -140.39 126.11 19.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.486 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -104.22 140.86 37.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.53 ' N ' ' C ' ' A' ' 45' ' ' PRO . 2.1 t70 54.95 75.74 0.58 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.53 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.96 169.46 74.48 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.001 -0.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.48 ' HB1' ' HB2' ' A' ' 65' ' ' LEU . . . -98.1 97.8 9.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.426 ' N ' HD12 ' A' ' 65' ' ' LEU . 10.6 m-85 -147.77 147.86 30.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.991 ' CD1' HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -118.46 113.89 22.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -107.62 132.95 52.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.607 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.416 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 19.6 p90 -124.02 127.85 48.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.833 ' CE1' HD12 ' A' ' 40' ' ' ILE . 9.2 m-85 -114.93 169.59 8.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 10.6 t70 -75.73 141.87 72.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.4 ' HG3' HG12 ' A' ' 36' ' ' VAL . 18.5 Cg_endo -74.94 -46.59 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.782 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.407 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -47.64 -36.89 11.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.6 146.27 4.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -175.31 178.59 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.357 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -119.04 -59.56 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.72 158.95 34.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.523 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.03 133.53 16.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.561 1.821 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.74 -35.76 56.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -172.73 -170.01 35.98 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.483 1.114 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.74 164.68 29.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.357 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.991 HD12 ' CD1' ' A' ' 48' ' ' LEU . 37.5 mt -130.74 106.11 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.408 ' NE2' ' HB2' ' A' ' 66' ' ' ARG . 5.0 t-160 -54.81 130.97 42.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.606 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.48 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 23.3 mt -113.83 8.5 17.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.408 ' HB2' ' NE2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -53.48 -61.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.247 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.29 30.72 3.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 20.8 p -64.31 177.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.6 t -140.45 142.83 30.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.062 HG11 HG23 ' A' ' 112' ' ' ILE . 37.9 t -113.06 137.71 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 72' ' ' SER . 0.6 OUTLIER -149.93 174.6 12.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.373 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.432 ' N ' HG23 ' A' ' 71' ' ' THR . 0.1 OUTLIER -119.52 134.4 55.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.762 HG13 ' HA ' ' A' ' 88' ' ' PHE . 33.8 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.474 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 1.2 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -71.63 110.05 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.648 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -125.7 178.02 5.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.762 ' HA ' HG13 ' A' ' 73' ' ' VAL . 14.8 p90 -159.71 149.27 18.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -101.87 127.62 48.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 88.8 mt -119.7 108.88 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 2.7 mt -85.38 141.07 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.692 HG22 HG23 ' A' ' 63' ' ' ILE . 32.3 p -102.74 -173.57 2.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.41 -16.71 62.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 1.3 m-20 -95.2 -1.5 51.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.8 mt-10 83.22 -1.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.432 HG23 ' CB ' ' A' ' 94' ' ' ASP . 33.3 t -58.45 133.53 23.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 9.4 m-70 -107.98 141.13 40.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.64 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -136.51 133.66 36.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -111.56 107.56 16.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.498 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -110.34 134.06 52.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.496 ' HB3' HD23 ' A' ' 25' ' ' LEU . 1.2 tt0 -96.2 131.06 43.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.83 145.06 25.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.62 -55.83 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 1.8 p -104.21 164.52 15.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -74.98 -19.58 17.76 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.464 1.771 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -79.43 -41.4 27.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.0 -54.87 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.677 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.7 OUTLIER -41.28 -43.96 2.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -72.45 -42.36 65.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.2 mt-10 -59.93 -59.5 5.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.775 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 3.2 m95 -41.84 -58.45 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.062 HG23 HG11 ' A' ' 70' ' ' VAL . 2.3 mt -42.89 -67.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -54.67 -24.38 21.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -69.24 -60.77 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.3 -36.25 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.796 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.5 mt-30 -63.47 -52.03 63.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.49 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -46.86 -41.51 15.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -74.53 -62.13 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 98.6 p -48.07 -29.6 3.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 116' ' ' GLN . 17.1 mmt85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.43 HG22 ' H ' ' A' ' 18' ' ' ILE . 9.2 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 19' ' ' ILE . 34.9 mt -106.57 166.91 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.513 ' N ' HG22 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -135.64 -43.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -140.84 151.5 44.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.588 ' HG2' HG23 ' A' ' 40' ' ' ILE . 45.2 mt-30 -150.32 155.86 40.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.97 -168.7 34.55 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.438 1.086 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.2 p -119.79 137.15 54.14 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.567 HD11 ' CE2' ' A' ' 111' ' ' TRP . 70.0 mt -126.63 176.26 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.847 ' CD1' HG22 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -109.52 99.28 8.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 7.0 tttm -83.25 125.59 31.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.847 HG22 ' CD1' ' A' ' 25' ' ' LEU . 38.7 t -75.06 145.58 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -157.96 150.23 22.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -82.31 143.17 31.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.515 ' CD1' HD11 ' A' ' 48' ' ' LEU . 8.2 m-85 -141.04 118.86 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.75 ' O ' HD22 ' A' ' 48' ' ' LEU . 74.7 mt -116.24 131.76 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.412 HD21 ' O ' ' A' ' 114' ' ' ALA . 32.5 tp -107.96 137.9 45.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.422 ' NH1' ' ND1' ' A' ' 49' ' ' HIS . 16.3 mtt85 -138.73 124.25 19.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.239 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -102.89 136.27 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.521 ' N ' ' C ' ' A' ' 45' ' ' PRO . 13.4 t0 58.28 76.29 0.47 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.521 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.1 Cg_endo -75.03 170.48 71.73 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.978 0.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.578 ' HB1' ' HB2' ' A' ' 65' ' ' LEU . . . -98.11 95.96 7.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.497 ' N ' HD12 ' A' ' 65' ' ' LEU . 9.2 m-85 -145.69 144.16 30.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.933 HD12 HD12 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -116.81 112.51 21.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 77.6 m80 -105.88 138.04 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.595 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 24.7 p90 -129.13 123.5 32.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.728 ' CE1' HD12 ' A' ' 40' ' ' ILE . 27.2 m-85 -107.03 169.07 8.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.601 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 20.9 t70 -75.28 142.67 75.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -47.49 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.601 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -46.5 -32.02 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 136.36 149.83 5.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 179.91 -169.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -129.96 -57.36 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.1 p-10 -90.24 155.51 46.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 151.12 38.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.503 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 1.5 mt -72.03 -9.59 58.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 155.68 -174.48 33.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.581 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -139.4 146.86 40.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.933 HD12 HD12 ' A' ' 48' ' ' LEU . 9.4 mt -112.64 110.63 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 6.8 t-160 -54.65 135.46 46.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.574 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.578 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 37.4 mt -117.06 13.66 14.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -55.43 -63.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.29 39.41 1.9 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 31.4 p -74.22 174.8 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.3 t -135.35 148.33 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.362 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.893 HG11 HG23 ' A' ' 112' ' ' ILE . 25.4 t -115.33 140.1 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.493 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.2 t -158.85 175.54 13.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.431 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.53 160.53 20.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.501 HG13 ' CA ' ' A' ' 88' ' ' PHE . 20.2 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.508 ' ND2' ' CA ' ' A' ' 105' ' ' PRO . 68.4 m-20 -83.35 126.66 32.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.483 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -134.01 178.68 6.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 15.6 p90 -165.32 145.39 6.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.595 ' OE2' ' CZ ' ' A' ' 99' ' ' PHE . 16.4 tt0 -99.83 136.72 39.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.682 ' CD1' HD13 ' A' ' 115' ' ' ILE . 87.9 mt -127.84 110.65 22.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.405 HG12 ' ND1' ' A' ' 97' ' ' HIS . 2.8 mt -88.48 143.23 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.486 HG21 HG23 ' A' ' 63' ' ' ILE . 32.7 p -107.13 -179.06 3.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 110.358 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -14.86 61.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.748 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -95.94 -2.18 47.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.561 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.3 mt-10 80.1 2.26 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.748 HG23 ' HB3' ' A' ' 94' ' ' ASP . 42.1 t -64.76 132.11 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.561 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.6 m-70 -104.88 143.56 32.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.577 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -138.82 123.97 19.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.595 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 59.2 m-85 -100.43 107.65 19.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -112.78 131.58 55.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.532 ' HB3' HD23 ' A' ' 25' ' ' LEU . 4.9 tt0 -93.79 133.54 37.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.356 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.615 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -101.28 131.24 47.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.69 -66.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.4 p -101.67 166.75 11.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.44 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.508 ' CA ' ' ND2' ' A' ' 86' ' ' ASN . 18.4 Cg_endo -75.02 -8.85 20.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -43.46 14.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.615 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -60.28 -45.86 91.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.618 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -48.32 -42.57 31.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -73.99 -40.94 62.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 114' ' ' ALA . 12.0 mt-10 -60.99 -54.84 39.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.652 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 13.0 m95 -45.51 -61.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 108.001 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.893 HG23 HG11 ' A' ' 70' ' ' VAL . 2.2 mt -40.75 -65.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.467 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -53.39 -32.69 50.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -64.55 -53.81 42.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.682 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.8 mt -60.51 -44.53 96.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.671 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.0 mt-30 -57.61 -48.07 80.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -52.13 -46.1 65.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.45 -64.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.5 p -43.81 -36.98 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.498 HG21 ' CD ' ' A' ' 21' ' ' GLN . 16.9 mt -97.72 157.36 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.638 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -121.01 -40.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -152.81 137.69 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.498 ' CD ' HG21 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -159.44 158.2 31.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.85 -140.0 5.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 68.4 m -116.87 136.58 52.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.533 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 15.5 mt -138.97 152.6 47.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.781 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -97.39 99.79 11.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -83.77 113.89 21.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.761 HG22 HD11 ' A' ' 25' ' ' LEU . 34.9 t -57.2 136.02 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.72 151.64 31.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.611 ' HE2' HD11 ' A' ' 40' ' ' ILE . 7.4 tttt -86.72 131.0 34.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CD2' HD11 ' A' ' 48' ' ' LEU . 11.6 m-85 -128.53 118.92 23.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.955 HD12 ' CE1' ' A' ' 51' ' ' TYR . 20.5 mt -112.75 128.91 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.532 ' CD1' ' CD1' ' A' ' 65' ' ' LEU . 17.7 tp -108.47 138.7 44.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -142.11 126.68 17.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.638 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -100.23 140.45 34.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.502 ' N ' ' C ' ' A' ' 45' ' ' PRO . 14.9 t0 58.39 76.86 0.43 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.502 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.04 165.54 85.65 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.12 99.59 12.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -149.19 162.92 39.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.012 ' CD1' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -130.75 110.47 11.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -102.48 125.89 49.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.475 ' HB3' ' CD2' ' A' ' 39' ' ' PHE . 25.3 p90 -120.58 128.12 52.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.955 ' CE1' HD12 ' A' ' 40' ' ' ILE . 7.1 m-85 -115.04 169.67 8.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.675 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 22.4 t70 -80.43 143.33 55.41 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -41.85 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.675 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -52.67 -34.32 51.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.462 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 145.01 152.03 5.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 177.56 165.22 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -110.65 -57.3 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -90.92 156.26 44.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.553 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.02 128.56 11.56 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.466 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 3.7 mt -42.21 -30.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.14 -166.85 40.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -134.88 150.22 50.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.012 HD12 ' CD1' ' A' ' 48' ' ' LEU . 89.2 mt -118.53 108.3 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CE1' ' HB3' ' A' ' 66' ' ' ARG . 2.9 t-80 -51.94 124.81 13.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.62 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.539 HD22 HG23 ' A' ' 115' ' ' ILE . 99.2 mt -110.71 -23.36 11.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.585 ' HB3' ' CE1' ' A' ' 64' ' ' HIS . 1.0 OUTLIER -39.23 -61.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -117.5 52.78 0.67 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 21.1 p -98.46 174.65 6.35 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -137.7 141.8 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.07 HG11 HG23 ' A' ' 112' ' ' ILE . 39.7 t -108.63 137.18 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -158.48 164.01 36.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.92 137.41 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.017 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 87' ' ' LEU . 24.9 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -82.36 110.1 17.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.557 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -119.72 163.42 17.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 25.1 p90 -149.54 147.77 28.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.517 ' OE2' ' CZ ' ' A' ' 99' ' ' PHE . 20.5 tt0 -103.15 134.12 47.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.664 ' CD1' HD13 ' A' ' 115' ' ' ILE . 74.8 mt -126.23 112.32 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.4 mt -89.73 144.4 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.662 HG21 HG23 ' A' ' 63' ' ' ILE . 29.8 p -105.98 -178.19 3.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.39 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.57 -9.75 51.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.826 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -101.74 -1.65 31.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.607 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.9 mt-10 81.55 1.91 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.826 HG23 ' HB3' ' A' ' 94' ' ' ASP . 37.3 t -62.34 132.06 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 10.8 m-70 -104.91 145.88 29.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.623 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -141.07 129.54 22.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.517 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 78.2 m-85 -106.98 106.52 17.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.7 OUTLIER -113.28 130.21 56.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.557 ' HG3' HD23 ' A' ' 87' ' ' LEU . 3.1 tt0 -94.04 131.53 39.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.663 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -100.06 123.84 44.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.9 -63.83 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 3.0 p -95.25 164.1 20.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.1 Cg_endo -75.02 -15.06 20.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -84.84 -37.51 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.663 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -60.1 -41.37 92.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.248 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.854 ' O ' HD12 ' A' ' 112' ' ' ILE . 6.9 tmm_? -56.64 -42.99 79.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -72.78 -41.01 65.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.5 mt-10 -60.84 -55.07 37.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.673 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 10.3 m95 -47.23 -59.78 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.07 HG23 HG11 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -41.9 -63.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.459 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -56.08 -31.71 63.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -62.87 -52.22 63.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.664 HD13 ' CD1' ' A' ' 90' ' ' ILE . 2.5 mp -62.39 -46.41 96.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.767 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.2 mt-30 -54.89 -49.72 70.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.444 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.4 OUTLIER -49.38 -48.55 46.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -70.6 -63.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 83.5 p -45.19 -32.48 1.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.547 HG22 ' H ' ' A' ' 18' ' ' ILE . 6.5 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.547 ' H ' HG22 ' A' ' 17' ' ' VAL . 23.0 mm -97.59 155.47 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.476 HG13 HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -124.71 -42.34 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.419 ' NZ ' ' OE1' ' A' ' 107' ' ' GLU . 10.6 tttt -151.13 142.59 23.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.437 ' NE2' HG21 ' A' ' 18' ' ' ILE . 35.5 mt-30 -142.35 141.43 32.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.086 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.42 -173.33 44.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.9 p -107.92 129.97 55.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 24' ' ' LEU . 10.4 mt -123.12 157.04 33.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.837 HD11 HG22 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -100.23 100.91 11.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.49 ' HG3' HD11 ' A' ' 100' ' ' LEU . 2.1 ttmt -88.15 116.48 26.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.837 HG22 HD11 ' A' ' 25' ' ' LEU . 33.5 t -63.07 138.52 22.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -148.41 138.69 22.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -80.65 124.04 28.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.644 ' CD2' HD11 ' A' ' 48' ' ' LEU . 6.9 m-85 -117.0 116.5 27.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.823 HD12 ' CE1' ' A' ' 51' ' ' TYR . 84.0 mt -108.53 127.75 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.476 HD23 HG13 ' A' ' 19' ' ' ILE . 19.1 tp -107.96 139.61 42.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' CA ' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -139.25 130.51 26.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' HG2' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -103.25 138.9 39.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.264 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.474 ' N ' ' C ' ' A' ' 45' ' ' PRO . 6.1 t70 54.96 77.99 0.41 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.474 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.99 172.07 64.9 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.057 -0.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.55 95.6 6.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.511 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 8.0 m-85 -142.24 168.39 19.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.058 HD12 HD12 ' A' ' 63' ' ' ILE . 1.3 tm? -133.02 110.26 10.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.458 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 34.7 m80 -106.6 116.03 31.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.602 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 31.3 p90 -106.16 119.97 40.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.823 ' CE1' HD12 ' A' ' 40' ' ' ILE . 13.1 m-85 -109.55 153.84 23.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.495 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -66.83 130.27 93.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -5.1 16.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 111.056 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.495 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -96.52 -4.09 42.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.578 ' O ' ' HB3' ' A' ' 56' ' ' ALA . . . 139.46 -124.19 2.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . 76.83 -58.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.789 . . . . 0.0 109.355 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 9.4 tt0 84.39 -55.84 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -75.66 152.76 85.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.474 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.03 115.1 4.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 2.9 mt -45.21 -34.18 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -172.15 -155.07 10.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -157.19 156.9 33.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.058 HD12 HD12 ' A' ' 48' ' ' LEU . 23.1 mt -128.43 108.23 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.511 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 5.0 t-160 -53.02 133.76 38.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.5 mt -118.95 9.46 11.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -65.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -120.8 33.53 4.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.8 p -69.1 175.13 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.0 t -139.71 146.63 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.93 HG11 HG23 ' A' ' 112' ' ' ILE . 33.9 t -113.19 138.74 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.401 HG22 ' HB3' ' A' ' 89' ' ' GLU . 0.4 OUTLIER -157.45 159.78 37.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.33 162.78 12.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.632 HG21 ' HB2' ' A' ' 87' ' ' LEU . 33.3 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 53.04 56.0 8.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' A' ' 101' ' ' GLN . 17.0 mt -107.45 170.96 7.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.713 ' CE1' HD23 ' A' ' 100' ' ' LEU . 7.3 p90 -169.9 145.42 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 90' ' ' ILE . 2.6 tt0 -99.61 140.95 33.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.805 HD13 HD13 ' A' ' 115' ' ' ILE . 6.2 mt -129.31 104.02 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.2 mt -82.84 135.21 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.675 HG21 HG23 ' A' ' 63' ' ' ILE . 73.4 p -98.51 -169.62 1.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.05 -20.62 60.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.671 ' HB3' HG23 ' A' ' 96' ' ' VAL . 1.1 m-20 -92.56 1.24 57.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.59 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.9 mt-10 80.65 0.05 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.671 HG23 ' HB3' ' A' ' 94' ' ' ASP . 40.9 t -60.14 132.28 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 1.9 m-70 -106.34 139.83 40.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.639 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -133.04 121.12 22.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.408 ' C ' HD22 ' A' ' 100' ' ' LEU . 5.6 m-85 -102.09 106.84 17.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.798 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -107.18 170.14 8.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.658 ' HA ' HD23 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -123.8 124.07 41.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.72 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -93.44 120.76 34.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.67 -57.64 3.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.41 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 71.2 p -101.33 162.81 19.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.407 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -74.96 -14.68 21.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.79 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.77 -33.16 21.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.72 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 1.4 tp10 -61.42 -50.28 73.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.878 ' O ' HD12 ' A' ' 112' ' ' ILE . 4.2 ttm180 -48.32 -45.23 34.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 m -71.19 -44.64 65.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.427 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 114' ' ' ALA . 7.9 mt-10 -58.56 -59.73 4.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.673 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 2.8 m95 -43.89 -61.01 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 107.981 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.93 HG23 HG11 ' A' ' 70' ' ' VAL . 1.4 mt -40.29 -66.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.497 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -54.38 -32.68 57.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -62.36 -55.01 32.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.805 HD13 HD13 ' A' ' 90' ' ' ILE . 3.1 mt -60.41 -48.75 87.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.726 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.3 mt-30 -51.62 -49.27 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.436 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -52.03 -47.82 64.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.436 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -66.75 -56.84 8.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.6 p -54.42 -28.73 45.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' GLN . 38.4 mmt180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.444 HG21 ' OE1' ' A' ' 21' ' ' GLN . 24.3 mt -99.44 160.52 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.532 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -124.9 -40.87 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HE3' ' CD1' ' A' ' 111' ' ' TRP . 9.2 tttm -156.44 130.84 8.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' OE1' HG21 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -148.6 159.83 43.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.44 -160.71 34.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 37' ' ' ARG . 18.6 p -95.53 148.49 22.45 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 24' ' ' LEU . 12.5 mt -151.41 155.25 38.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.8 HD11 HG22 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -98.24 99.28 10.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -90.26 116.75 28.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mttt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.8 HG22 HD11 ' A' ' 25' ' ' LEU . 39.6 t -59.5 140.9 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 39.6 mtt180 -157.79 167.39 30.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 2.3 tttp -99.08 143.41 29.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CD2' HD11 ' A' ' 48' ' ' LEU . 13.0 m-85 -136.65 114.12 10.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.831 HD12 ' CE1' ' A' ' 51' ' ' TYR . 28.0 mt -107.76 129.63 61.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.414 HD21 ' O ' ' A' ' 114' ' ' ALA . 20.8 tp -109.14 137.92 46.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.52 ' CZ ' ' ND1' ' A' ' 49' ' ' HIS . 12.4 ptp180 -141.79 125.42 16.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.532 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -100.32 143.52 30.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.526 ' N ' ' C ' ' A' ' 45' ' ' PRO . 5.4 t0 52.08 76.11 0.57 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.526 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.94 170.05 72.85 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.049 -0.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.38 98.82 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -145.54 157.24 44.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.008 HD12 HD12 ' A' ' 63' ' ' ILE . 1.4 tm? -127.07 111.32 13.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.52 ' ND1' ' CZ ' ' A' ' 42' ' ' ARG . 76.3 m80 -107.24 136.41 47.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.584 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 53.1 p90 -126.13 121.68 33.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.831 ' CE1' HD12 ' A' ' 40' ' ' ILE . 2.6 m-85 -117.27 160.72 20.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.462 ' HB3' ' HB2' ' A' ' 56' ' ' ALA . 2.5 t70 -58.91 141.84 85.39 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.26 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.556 1.819 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.445 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -43.06 -37.35 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 150.27 141.38 3.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.462 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . . . -168.26 -171.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -140.27 -63.65 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -78.7 152.47 77.78 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 131.57 14.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 5.2 mt -63.25 -27.85 69.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -168.45 -159.16 13.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -167.2 128.74 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.008 HD12 HD12 ' A' ' 48' ' ' LEU . 5.6 mt -104.43 123.23 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.519 ' CG ' ' HG2' ' A' ' 66' ' ' ARG . 5.9 t-160 -72.61 132.99 44.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 mt -120.19 23.79 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.519 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 16.3 ptt180 -65.31 -24.3 67.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.45 31.7 0.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.7 p -67.76 167.16 13.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 t -120.22 150.4 22.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.01 HG11 HG23 ' A' ' 112' ' ' ILE . 25.3 t -117.03 138.48 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -157.61 168.23 27.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.45 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.46 ' N ' HG23 ' A' ' 71' ' ' THR . 0.3 OUTLIER -111.1 147.78 34.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 87' ' ' LEU . 28.7 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -81.05 119.09 23.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.627 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -127.25 162.93 25.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 37.1 p90 -152.42 143.26 22.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.483 ' OE1' HD11 ' A' ' 91' ' ' ILE . 3.9 tt0 -99.91 138.75 36.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.795 HD13 HD13 ' A' ' 115' ' ' ILE . 76.8 mt -129.63 105.3 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.483 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.7 mt -82.71 144.77 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.0 p -109.13 178.14 4.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.443 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.97 -14.71 50.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.874 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -95.08 -5.12 45.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 6.0 mt-10 83.35 -1.44 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.874 HG23 ' HB3' ' A' ' 94' ' ' ASP . 42.7 t -61.08 132.62 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 7.5 m-70 -104.72 142.69 34.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.581 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -137.62 120.41 16.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -100.69 109.18 21.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.646 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -113.9 133.53 55.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.533 ' HG3' HD23 ' A' ' 87' ' ' LEU . 3.5 tt0 -96.46 129.07 43.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.745 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -98.91 125.24 44.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -39.73 -64.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.7 p -95.67 164.54 18.61 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.402 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -11.74 21.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.552 1.817 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -88.32 -30.04 19.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.745 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 1.3 tt0 -67.44 -39.34 85.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.787 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.7 OUTLIER -59.05 -45.08 91.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -68.84 -50.6 48.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.7 mt-10 -51.33 -55.93 15.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.719 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 9.3 m95 -44.01 -61.0 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.01 HG23 HG11 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -40.69 -67.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.523 ' N ' HG22 ' A' ' 112' ' ' ILE . 25.0 mtmt -52.25 -32.51 37.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -62.06 -55.05 33.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.795 HD13 HD13 ' A' ' 90' ' ' ILE . 2.5 mt -61.24 -47.47 93.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.766 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.3 mt-30 -54.01 -49.21 69.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.453 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -50.9 -47.65 60.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.488 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.02 -57.68 4.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 56.7 p -49.58 -30.47 8.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 116' ' ' GLN . 54.2 mmt-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 7.6 mt -87.84 165.21 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.508 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -136.03 -43.04 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -137.31 147.85 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.492 ' HG2' HG23 ' A' ' 40' ' ' ILE . 32.6 mt-30 -153.96 147.35 24.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.18 -167.69 39.47 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.6 p -112.44 140.24 47.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.649 ' C ' HD22 ' A' ' 25' ' ' LEU . 96.2 mt -136.59 173.95 11.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.771 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -110.29 99.38 8.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.535 ' HE2' ' CD1' ' A' ' 98' ' ' TYR . 25.6 tttt -86.53 119.67 27.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.711 HG22 ' CD1' ' A' ' 25' ' ' LEU . 8.7 t -110.47 136.27 46.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -153.32 155.29 36.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.415 ' HE2' HD11 ' A' ' 40' ' ' ILE . 5.6 tttm -85.18 147.87 26.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.543 ' HD1' HD21 ' A' ' 48' ' ' LEU . 12.2 m-85 -140.7 113.83 8.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.79 HD12 ' CE1' ' A' ' 51' ' ' TYR . 80.6 mt -108.02 135.04 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.8 tp -107.91 143.53 36.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.8 121.2 9.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.462 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -99.88 146.58 26.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.499 ' N ' ' C ' ' A' ' 45' ' ' PRO . 19.7 t0 46.39 77.41 0.46 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.499 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.5 Cg_endo -74.97 166.96 81.86 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.003 0.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.78 104.32 16.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.49 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 8.1 m-85 -148.51 168.52 22.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.831 HD12 HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -140.7 110.72 6.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.814 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 57.4 m80 -106.72 148.73 28.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.575 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.405 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 15.5 p90 -135.6 131.43 35.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.79 ' CE1' HD12 ' A' ' 40' ' ' ILE . 18.2 m-85 -117.14 159.94 21.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.509 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 7.4 t70 -65.44 138.37 96.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.407 ' HG3' HG12 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -75.0 -43.17 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.509 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -51.38 -38.16 51.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.405 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . 149.66 138.05 2.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.407 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . . . -171.45 176.93 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -122.02 -58.92 1.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.01 152.25 48.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.494 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 131.77 14.65 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.762 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.405 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 mt -52.54 -30.04 28.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 179.29 -154.46 13.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.814 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -165.25 151.91 10.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 0.777 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.831 HD12 HD12 ' A' ' 48' ' ' LEU . 20.5 mt -113.46 123.96 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.49 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 4.5 t-160 -68.97 133.96 48.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.609 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 mt -121.66 14.65 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.454 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 6.1 ptt180 -55.24 -29.32 57.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 66' ' ' ARG . . . -158.87 26.51 0.38 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.0 p -66.77 170.05 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.0 t -124.72 155.89 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.955 HG11 HG23 ' A' ' 112' ' ' ILE . 23.8 t -120.39 139.54 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.504 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -158.61 175.01 14.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.41 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.66 157.68 20.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.788 HG13 ' CA ' ' A' ' 88' ' ' PHE . 30.1 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -73.98 112.23 9.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.811 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -125.66 178.38 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.788 ' CA ' HG13 ' A' ' 73' ' ' VAL . 10.0 p90 -161.52 155.09 21.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.504 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 8.4 tt0 -105.49 134.65 48.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.594 ' CD1' HD13 ' A' ' 115' ' ' ILE . 91.3 mt -127.05 105.25 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.2 mt -81.63 141.76 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.478 HG21 HG23 ' A' ' 63' ' ' ILE . 50.6 p -103.39 -170.33 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.36 -22.76 61.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.876 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -90.95 -1.0 57.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.54 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.8 mt-10 83.02 0.78 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.876 HG23 ' HB3' ' A' ' 94' ' ' ASP . 47.6 t -58.68 133.56 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 11.2 m-70 -107.02 136.89 46.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.617 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.535 ' CD1' ' HE2' ' A' ' 26' ' ' LYS . 41.9 m-85 -131.96 135.71 46.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.405 ' C ' HD13 ' A' ' 100' ' ' LEU . 3.1 m-85 -111.84 107.05 15.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -111.38 128.49 55.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.811 ' HG3' HD23 ' A' ' 87' ' ' LEU . 7.6 tt0 -93.71 138.22 32.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -104.5 163.82 12.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.76 -59.99 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 65.3 p -101.87 162.07 21.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.394 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.99 -13.1 21.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.771 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -87.72 -28.83 21.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ARG . 2.0 tt0 -69.64 -55.95 8.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.662 ' O ' HD12 ' A' ' 112' ' ' ILE . 2.8 tmm_? -38.61 -44.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.432 HG22 ' HE3' ' A' ' 113' ' ' LYS . 1.2 m -68.59 -48.08 65.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 114' ' ' ALA . 3.6 mt-10 -52.66 -54.16 37.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.612 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 14.9 m95 -46.0 -56.45 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 107.986 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.955 HG23 HG11 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -44.31 -62.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.45 ' N ' HG22 ' A' ' 112' ' ' ILE . 10.7 mttt -57.43 -28.64 63.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -68.06 -54.66 16.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.594 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.5 mt -59.43 -42.16 86.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.705 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.5 mt-30 -58.0 -52.52 65.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.497 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -45.03 -43.16 9.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -75.49 -60.83 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.6 p -47.0 -29.53 2.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 54.7 mmt-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.652 HG22 ' H ' ' A' ' 18' ' ' ILE . 9.0 p . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.652 ' H ' HG22 ' A' ' 17' ' ' VAL . 25.0 mt -100.57 158.23 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.441 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -122.74 -41.45 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HD3' ' CE2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -157.34 128.35 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.604 ' NE2' HG21 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -146.63 156.85 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . 173.16 -149.06 10.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.3 m -108.08 143.69 36.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 100' ' ' LEU . 13.3 mt -144.45 159.61 42.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.784 HD11 HG22 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -102.14 98.82 8.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -91.66 126.74 36.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.784 HG22 HD11 ' A' ' 25' ' ' LEU . 42.5 t -56.99 141.57 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -154.75 145.03 21.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 11.6 tttt -80.49 135.15 36.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.754 ' CD2' HD11 ' A' ' 48' ' ' LEU . 14.5 m-85 -130.62 120.53 24.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.905 HD12 ' CE1' ' A' ' 51' ' ' TYR . 44.4 mt -111.45 128.69 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 tp -109.73 133.53 53.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.509 ' CZ ' ' ND1' ' A' ' 49' ' ' HIS . 8.4 ptp180 -138.87 127.45 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.483 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -101.26 138.64 38.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.267 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.516 ' N ' ' C ' ' A' ' 45' ' ' PRO . 7.8 t0 57.79 76.46 0.47 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.516 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.03 166.74 82.47 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.973 0.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.09 96.18 8.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.436 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 6.3 m-85 -146.23 151.22 37.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.028 HD12 HD12 ' A' ' 63' ' ' ILE . 1.5 tm? -117.25 111.28 19.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.509 ' ND1' ' CZ ' ' A' ' 42' ' ' ARG . 63.6 m80 -107.58 125.08 50.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.581 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.593 ' CE1' ' HB2' ' A' ' 60' ' ' LEU . 34.9 p90 -119.81 128.06 53.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.905 ' CE1' HD12 ' A' ' 40' ' ' ILE . 16.1 m-85 -109.77 156.74 19.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.505 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 5.3 t70 -69.03 141.88 92.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -50.31 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.505 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -40.76 -33.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.664 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 143.1 158.84 7.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 164.97 170.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -115.73 -61.45 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.2 154.76 66.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.99 144.32 30.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.593 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -55.8 -42.06 75.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -175.67 -153.88 10.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -148.77 134.31 18.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.028 HD12 HD12 ' A' ' 48' ' ' LEU . 10.1 mt -100.69 126.0 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.58 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 8.7 t60 -66.89 119.42 11.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.615 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.804 HD11 ' HB2' ' A' ' 48' ' ' LEU . 97.5 mt -112.61 -14.12 13.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.58 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -38.56 -68.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -118.13 43.77 1.55 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 19.6 p -81.79 -174.09 4.82 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -139.79 146.48 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.906 HG11 HG23 ' A' ' 112' ' ' ILE . 31.0 t -113.72 140.07 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.49 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -157.82 170.39 22.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.16 155.77 24.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.653 HG13 ' HA ' ' A' ' 88' ' ' PHE . 22.7 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -84.27 118.33 24.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.663 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -131.83 178.51 6.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.092 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.653 ' HA ' HG13 ' A' ' 73' ' ' VAL . 5.6 p90 -164.09 150.8 11.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.49 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 29.4 tt0 -101.68 142.83 32.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.712 ' CD1' HD13 ' A' ' 115' ' ' ILE . 62.1 mt -135.2 107.69 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 68' ' ' CYS . 2.3 mt -86.95 143.52 11.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 70.0 p -108.18 174.22 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.32 -18.32 36.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.851 ' HB3' HG23 ' A' ' 96' ' ' VAL . 16.5 t70 -93.05 -2.61 55.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.9 mt-10 80.54 4.15 1.74 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.851 HG23 ' HB3' ' A' ' 94' ' ' ASP . 42.0 t -64.43 131.55 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 9.4 m-70 -104.23 145.4 30.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.443 ' HB3' HD21 ' A' ' 100' ' ' LEU . 62.3 m-85 -137.12 140.55 41.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -116.69 108.31 15.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.722 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -117.39 127.7 54.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.663 ' HG3' HD23 ' A' ' 87' ' ' LEU . 5.5 tt0 -93.38 125.29 37.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -89.34 140.44 29.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.82 -63.84 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.413 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 1.0 OUTLIER -93.18 165.47 18.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.387 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -75.04 -16.65 20.0 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.788 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -82.21 -40.96 20.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.5 -44.25 93.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.579 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -49.26 -47.42 46.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.409 ' N ' ' HD2' ' A' ' 108' ' ' ARG . 1.0 OUTLIER -75.29 -51.04 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.424 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 114' ' ' ALA . 3.3 mt-10 -49.11 -54.58 15.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.708 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 0.5 OUTLIER -43.73 -61.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.906 HG23 HG11 ' A' ' 70' ' ' VAL . 1.3 mt -41.65 -65.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.485 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.9 OUTLIER -53.11 -30.9 39.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -65.04 -51.49 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.712 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.2 mt -62.36 -48.32 88.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.684 ' HG2' HG21 ' A' ' 70' ' ' VAL . 3.9 mt-30 -53.17 -49.91 65.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.448 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.4 OUTLIER -47.9 -47.72 31.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.483 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.13 -59.93 2.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 64.6 p -44.79 -44.12 9.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.952 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.557 HG22 ' H ' ' A' ' 18' ' ' ILE . 8.1 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.557 ' H ' HG22 ' A' ' 17' ' ' VAL . 3.8 mt -113.39 171.09 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.534 ' H ' HG22 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -143.9 -44.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.541 ' HD2' ' CE3' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -147.77 130.92 16.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.656 ' HG2' HG23 ' A' ' 40' ' ' ILE . 31.8 mt-30 -131.66 137.14 48.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.66 -149.65 7.78 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.408 ' O ' HD23 ' A' ' 24' ' ' LEU . 26.2 p -130.71 149.0 52.56 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.536 HD11 ' CD1' ' A' ' 111' ' ' TRP . 33.6 mt -146.14 161.83 39.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.821 HD11 HG22 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -103.87 102.52 12.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.501 ' HE3' ' CE1' ' A' ' 98' ' ' TYR . 5.8 tttt -85.1 111.14 19.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.821 HG22 HD11 ' A' ' 25' ' ' LEU . 39.0 t -60.78 139.85 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -151.58 140.53 21.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -81.3 97.0 7.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.533 ' CD2' HD11 ' A' ' 48' ' ' LEU . 10.3 m-85 -87.62 118.42 27.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.937 HD12 ' CE1' ' A' ' 51' ' ' TYR . 63.8 mt -111.77 129.17 67.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.449 HD23 HG13 ' A' ' 19' ' ' ILE . 15.4 tp -108.31 134.61 50.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.438 ' CA ' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -137.0 127.91 27.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -104.07 138.92 39.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.501 ' N ' ' C ' ' A' ' 45' ' ' PRO . 1.3 m-20 58.17 76.99 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.501 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.98 170.6 71.39 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.036 -0.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.51 101.4 13.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.463 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 8.7 m-85 -147.99 164.28 34.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.107 HD12 HD12 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -139.77 111.16 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.761 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 53.8 m80 -106.46 148.41 28.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.61 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.55 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 21.6 p90 -132.07 120.72 22.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.937 ' CE1' HD12 ' A' ' 40' ' ' ILE . 14.4 m-85 -107.95 168.2 9.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.662 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 9.5 t70 -79.87 137.24 54.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.594 ' HG3' HG12 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -74.97 -35.52 3.12 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.662 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -52.02 -37.25 52.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.91 -99.41 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 61.82 -167.89 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -151.49 -57.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.75 154.04 73.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.99 131.49 14.35 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.55 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 2.0 mt -57.17 -29.64 63.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 176.12 -168.21 40.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.761 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -151.74 153.55 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.107 HD12 HD12 ' A' ' 48' ' ' LEU . 18.3 mt -115.23 118.96 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.499 ' CG ' ' HG2' ' A' ' 66' ' ' ARG . 5.1 t-160 -66.76 128.86 37.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.628 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 mt -117.04 15.38 15.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.499 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 3.7 ptt180 -53.23 -24.28 10.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -166.78 30.03 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.9 p -67.76 171.39 6.54 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.1 t -127.44 153.16 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.906 HG11 HG23 ' A' ' 112' ' ' ILE . 23.3 t -118.9 138.8 48.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.505 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -158.19 172.91 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.443 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.19 163.3 13.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.036 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.473 HG13 ' HA ' ' A' ' 88' ' ' PHE . 12.3 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.603 ' O ' HD12 ' A' ' 87' ' ' LEU . 62.5 m-20 -154.61 -77.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.721 HD23 ' CB ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER 62.33 -177.7 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 20.8 p90 -165.36 153.43 11.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.505 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 26.5 tt0 -99.73 145.08 28.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 75.3 mt -141.36 103.81 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -81.99 140.83 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.451 HG21 HG23 ' A' ' 63' ' ' ILE . 39.3 p -101.34 -173.08 2.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.11 -15.86 62.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.51 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -96.79 0.26 49.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.547 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 7.0 mt-10 81.71 -1.13 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.51 HG23 ' HB3' ' A' ' 94' ' ' ASP . 21.9 t -58.63 135.4 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 12.0 m-70 -108.08 141.9 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.501 ' CE1' ' HE3' ' A' ' 26' ' ' LYS . 57.9 m-85 -138.49 131.67 30.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.446 ' HD2' HG11 ' A' ' 73' ' ' VAL . 77.1 m-85 -110.92 106.2 15.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.596 HD22 ' N ' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -103.22 137.77 40.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.721 ' CB ' HD23 ' A' ' 87' ' ' LEU . 2.1 tt0 -92.48 127.1 37.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.95 133.06 43.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.0 -39.89 63.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.3 p -131.07 166.38 28.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.83 16.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -37.83 70.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -68.8 -43.84 74.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.922 ' O ' HD12 ' A' ' 112' ' ' ILE . 5.1 ttp180 -48.27 -47.45 36.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.89 -44.27 66.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.0 mt-10 -57.41 -60.42 3.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.71 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 1.5 m95 -42.23 -59.34 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 107.994 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.922 HD12 ' O ' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -43.36 -66.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.522 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -54.1 -24.66 18.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -72.75 -57.74 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.431 HD12 ' O ' ' A' ' 111' ' ' TRP . 2.1 mp -57.84 -39.1 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.735 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.4 mt-30 -61.21 -51.45 68.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.491 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -47.78 -42.81 26.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -74.39 -58.19 3.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.1 p -50.23 -29.62 9.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 116' ' ' GLN . 14.4 mmt85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.522 HG22 ' N ' ' A' ' 18' ' ' ILE . 14.7 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.575 ' C ' HD13 ' A' ' 19' ' ' ILE . 39.4 mt -107.54 165.45 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.967 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -143.9 -45.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HG2' ' CD2' ' A' ' 111' ' ' TRP . 4.3 tptt -123.62 146.72 47.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.547 ' HG2' HG23 ' A' ' 40' ' ' ILE . 30.7 mt-30 -156.78 143.76 18.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.19 -171.92 36.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.7 p -103.63 144.73 31.06 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 20.9 mt -139.48 159.76 41.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.762 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -102.32 99.22 9.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -88.99 124.41 34.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.738 HG22 HD11 ' A' ' 25' ' ' LEU . 17.7 t -83.73 140.58 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.1 154.41 30.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 50' ' ' TYR . 7.5 tttt -84.76 143.48 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.097 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.624 ' CD2' HD11 ' A' ' 48' ' ' LEU . 8.3 m-85 -139.97 113.25 8.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.758 HD12 ' HE1' ' A' ' 51' ' ' TYR . 76.0 mt -110.96 137.05 45.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.9 tp -108.95 142.16 40.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 45' ' ' PRO . 22.3 mtp180 -138.84 123.08 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.967 ' HG2' HD12 ' A' ' 19' ' ' ILE . 2.2 pt-20 -100.1 136.27 40.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.467 ' N ' ' C ' ' A' ' 45' ' ' PRO . 34.4 t0 55.4 78.42 0.38 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.467 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.01 172.18 64.33 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.989 -2.505 . . . . 0.0 110.993 0.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.6 95.77 7.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.409 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 5.8 m-85 -140.91 157.39 45.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.03 HD12 HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -131.88 110.64 10.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.594 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 81.0 m80 -103.75 154.4 19.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.593 ' CE1' ' C ' ' A' ' 61' ' ' GLY . 1.5 p90 -145.95 122.72 11.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.758 ' HE1' HD12 ' A' ' 40' ' ' ILE . 4.4 m-85 -110.53 165.2 11.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 8.9 t0 -68.61 139.52 91.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -49.81 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.425 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -41.67 -44.79 3.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.8 135.58 2.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -165.7 -148.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.38 -46.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -97.4 149.75 36.05 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -75.0 129.21 12.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mt -48.97 -27.5 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.593 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . 173.19 -170.94 44.09 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.594 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -145.57 158.47 43.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.794 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.03 HD12 HD12 ' A' ' 48' ' ' LEU . 17.9 mt -124.46 110.57 25.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 7.5 t-160 -59.26 129.57 42.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.644 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.0 mt -109.48 22.08 16.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.567 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -72.23 82.92 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.2 28.85 52.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.6 p -69.4 173.19 6.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 36.3 t -122.5 149.01 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.049 HG11 HG23 ' A' ' 112' ' ' ILE . 25.1 t -120.52 138.08 52.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.491 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.4 t -158.68 175.42 13.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.82 163.13 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.773 HG13 ' CA ' ' A' ' 88' ' ' PHE . 10.7 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -81.67 126.66 32.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.615 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -136.69 166.29 23.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.773 ' CA ' HG13 ' A' ' 73' ' ' VAL . 7.0 p90 -152.52 151.04 30.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.491 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 6.4 tt0 -100.01 145.43 27.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.678 ' CD1' HD13 ' A' ' 115' ' ' ILE . 93.5 mt -138.4 106.09 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.6 mt -86.9 142.8 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.538 HG21 ' CG2' ' A' ' 63' ' ' ILE . 72.1 p -106.79 179.15 4.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.73 -16.23 60.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.826 ' HB3' HG23 ' A' ' 96' ' ' VAL . 29.0 t70 -95.86 -1.09 50.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.565 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 79.27 5.05 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.826 HG23 ' HB3' ' A' ' 94' ' ' ASP . 43.7 t -65.28 129.98 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.565 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 7.5 m-70 -102.91 143.94 31.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.626 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.571 ' CE2' HG12 ' A' ' 96' ' ' VAL . 72.0 m-85 -136.3 135.47 38.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.47 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 60.7 m-85 -111.52 107.49 16.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -115.61 132.63 56.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.615 ' HG3' HD23 ' A' ' 87' ' ' LEU . 3.9 tt0 -96.88 123.76 40.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.18 134.03 35.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.167 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.76 -65.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 63.9 p -96.01 162.43 23.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.443 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.74 21.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -91.03 -28.23 18.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -71.06 -35.79 72.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.302 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.485 ' O ' HD12 ' A' ' 112' ' ' ILE . 4.4 ttm180 -58.9 -44.88 91.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -69.26 -41.76 76.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.4 mt-10 -58.8 -59.8 4.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.675 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 9.4 m95 -43.83 -60.61 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 107.981 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.049 HG23 HG11 ' A' ' 70' ' ' VAL . 3.1 mt -41.08 -66.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.481 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -53.38 -30.85 42.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -66.07 -56.11 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.678 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.5 mt -57.72 -36.43 54.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.093 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.69 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.4 mt-30 -64.09 -51.44 64.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.489 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -48.37 -42.19 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.427 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -69.58 -66.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 30.3 t -48.83 -29.01 4.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' GLN . 18.4 mmt-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.535 HD12 ' CG2' ' A' ' 40' ' ' ILE . 24.1 mm -105.35 143.55 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.467 HD11 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -112.19 -27.54 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -168.91 147.26 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.648 ' HG2' HG23 ' A' ' 40' ' ' ILE . 59.9 mt-30 -140.02 159.78 41.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.63 -170.48 35.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.1 p -106.49 159.87 15.84 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.506 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 12.6 mt -154.03 152.66 30.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.818 HD11 HG22 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -96.65 100.22 11.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -89.97 119.23 30.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.818 HG22 HD11 ' A' ' 25' ' ' LEU . 41.5 t -63.68 142.81 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.03 151.97 22.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 50' ' ' TYR . 8.1 tptt -83.21 141.65 31.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.793 ' CD2' HD11 ' A' ' 48' ' ' LEU . 10.2 m-85 -137.62 113.62 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.785 HD12 ' CE1' ' A' ' 51' ' ' TYR . 66.3 mt -109.17 132.52 57.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.428 HD23 HG13 ' A' ' 19' ' ' ILE . 25.5 tp -108.12 135.56 49.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.467 ' CA ' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -139.15 126.49 21.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -101.67 138.82 38.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.507 ' N ' ' C ' ' A' ' 45' ' ' PRO . 52.2 t0 58.45 76.58 0.45 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.507 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.5 Cg_endo -75.01 164.91 87.31 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.044 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.54 96.79 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.438 ' N ' HD12 ' A' ' 65' ' ' LEU . 5.2 m-85 -144.89 162.86 35.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.157 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.939 ' CD1' HD12 ' A' ' 63' ' ' ILE . 1.5 tm? -130.77 111.04 11.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.429 ' NE2' ' HB2' ' A' ' 62' ' ' ALA . 45.1 m80 -105.69 140.62 38.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.615 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.576 ' CE1' ' O ' ' A' ' 61' ' ' GLY . 3.0 p90 -134.42 125.87 28.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.785 ' CE1' HD12 ' A' ' 40' ' ' ILE . 3.4 m-85 -113.11 159.94 18.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 12.0 t70 -64.39 143.08 98.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -46.01 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.475 1.776 . . . . 0.0 110.958 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.409 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -60.41 -31.95 70.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.584 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 144.94 157.07 7.07 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.475 1.109 . . . . 0.0 111.056 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 171.12 -33.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 76.15 -69.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.84 149.32 96.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.529 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.96 133.92 17.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.27 -29.6 63.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.576 ' O ' ' CE1' ' A' ' 50' ' ' TYR . . . 170.76 173.66 38.1 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.429 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . . . -118.7 166.73 12.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.939 HD12 ' CD1' ' A' ' 48' ' ' LEU . 35.7 mt -133.7 113.93 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.614 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 2.0 t-80 -56.43 124.99 20.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.628 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.633 HD22 HG23 ' A' ' 115' ' ' ILE . 72.3 mt -110.72 -29.62 7.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.614 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 3.3 mtt-85 -36.59 -50.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.346 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.05 56.37 0.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.428 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 20.3 p -106.08 178.68 4.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 91' ' ' ILE . 46.3 t -140.47 141.57 32.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.032 HG11 HG23 ' A' ' 112' ' ' ILE . 37.4 t -108.12 138.44 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.485 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.2 t -157.18 175.84 13.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.97 144.91 42.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.02 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.787 HG13 ' HA ' ' A' ' 88' ' ' PHE . 15.5 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -79.94 123.57 27.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.488 ' CD2' ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -132.7 -177.67 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.787 ' HA ' HG13 ' A' ' 73' ' ' VAL . 14.7 p90 -169.97 149.63 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.582 ' OE1' HD11 ' A' ' 91' ' ' ILE . 5.4 tt0 -99.88 138.5 36.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.7 mt -131.71 108.79 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.582 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.6 mt -88.73 141.88 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.725 HG21 HG23 ' A' ' 63' ' ' ILE . 34.5 p -104.7 -179.58 3.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.28 -15.17 62.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.5 ' CB ' HG23 ' A' ' 96' ' ' VAL . 1.5 m-20 -97.33 -0.19 46.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.598 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 78.7 5.43 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.5 HG23 ' CB ' ' A' ' 94' ' ' ASP . 20.1 t -63.95 131.26 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 12.6 m-70 -102.92 138.17 40.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.566 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.422 ' HB3' HD21 ' A' ' 100' ' ' LEU . 61.1 m-85 -133.3 134.33 43.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -111.33 107.57 16.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.718 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -114.79 128.48 56.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.488 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 4.6 tt0 -93.47 129.04 39.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.761 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -98.15 122.5 41.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.76 -63.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.413 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 2.9 p -93.82 164.12 21.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.431 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.95 -16.0 20.56 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.525 1.802 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.94 -48.75 12.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.761 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 1.9 tp10 -50.18 -48.95 53.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.663 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -48.71 -43.96 37.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.81 -50.46 24.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 114' ' ' ALA . 6.7 mt-10 -52.83 -56.83 12.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.72 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 3.7 m95 -43.6 -59.16 2.3 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.032 HG23 HG11 ' A' ' 70' ' ' VAL . 1.7 mt -41.03 -66.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.521 ' N ' HG22 ' A' ' 112' ' ' ILE . 27.4 mtmt -55.68 -29.98 60.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -62.55 -57.22 11.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.633 HG23 HD22 ' A' ' 65' ' ' LEU . 1.7 mp -58.8 -40.28 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.801 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.4 mt-30 -60.54 -50.42 73.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.48 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -50.06 -44.13 51.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.445 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -74.79 -59.73 2.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.7 p -47.59 -34.63 8.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 110.327 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.807 HG21 ' CD ' ' A' ' 21' ' ' GLN . 48.6 mm -94.06 144.79 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -110.91 -40.68 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -150.95 150.07 30.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.807 ' CD ' HG21 ' A' ' 18' ' ' ILE . 48.9 mt-30 -146.48 158.43 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.9 -171.97 37.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.0 p -110.47 139.17 45.94 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 mt -131.89 162.46 30.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.774 HD11 HG22 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -100.67 99.23 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.594 ' HG3' HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -86.47 116.8 24.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mttp . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.774 HG22 HD11 ' A' ' 25' ' ' LEU . 40.5 t -64.25 140.59 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -156.08 154.62 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.88 131.44 35.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.787 ' CD1' HD11 ' A' ' 48' ' ' LEU . 4.5 m-85 -127.44 112.86 15.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.996 HD12 ' CE1' ' A' ' 51' ' ' TYR . 51.5 mt -107.47 129.14 61.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.1 tp -107.51 135.87 48.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.571 ' NH1' HD11 ' A' ' 18' ' ' ILE . 4.4 ptp180 -138.29 126.03 22.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.41 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -101.07 144.19 30.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.516 ' N ' ' C ' ' A' ' 45' ' ' PRO . 15.6 t70 57.82 76.12 0.49 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.516 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -75.01 169.41 74.64 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.998 0.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.49 96.69 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.559 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 6.7 m-85 -145.37 161.59 39.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.042 HD12 HD12 ' A' ' 63' ' ' ILE . 1.1 tm? -131.75 110.97 11.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.795 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 62.9 m80 -105.22 147.87 27.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.63 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.525 ' HD2' HD23 ' A' ' 60' ' ' LEU . 2.1 p90 -132.95 149.9 52.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.996 ' CE1' HD12 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -137.22 148.26 46.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 110.977 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 55' ' ' GLY . 1.1 t70 -61.78 138.7 95.44 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.441 ' C ' ' N ' ' A' ' 55' ' ' GLY . 18.4 Cg_endo -75.01 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.42 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -41.38 -29.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 53' ' ' PRO . . . 129.91 137.57 4.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -168.29 179.51 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -115.22 -53.23 2.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -102.14 152.81 38.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.562 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.0 144.97 30.88 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.793 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.763 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -58.92 -44.84 91.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.496 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . -172.9 -164.71 28.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.795 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -147.5 163.09 37.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.042 HD12 HD12 ' A' ' 48' ' ' LEU . 19.9 mt -119.17 116.95 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.559 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 5.7 t-160 -61.66 119.49 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.602 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.411 ' HA ' ' SG ' ' A' ' 68' ' ' CYS . 24.3 mt -102.59 10.64 38.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.491 ' HD2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -52.4 -60.99 2.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.3 35.29 2.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 15.6 p -74.93 175.61 7.93 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -137.9 151.09 25.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.904 HG11 HG23 ' A' ' 112' ' ' ILE . 25.0 t -116.37 138.59 46.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.498 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -153.83 175.73 12.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.69 162.59 18.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.511 HG13 ' HA ' ' A' ' 88' ' ' PHE . 25.2 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.465 ' ND2' ' CA ' ' A' ' 105' ' ' PRO . 69.5 m-80 -90.07 111.05 22.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.31 178.17 4.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 33.1 p90 -165.94 156.05 12.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.498 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 36.2 tt0 -105.93 149.97 26.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.425 ' CD1' HD13 ' A' ' 115' ' ' ILE . 52.9 mt -143.35 109.35 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -86.83 141.27 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.572 HG21 HG23 ' A' ' 63' ' ' ILE . 42.3 p -102.26 -165.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.03 -21.48 56.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.767 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -93.89 2.35 56.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.594 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.7 mt-10 80.0 2.13 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.767 HG23 ' HB3' ' A' ' 94' ' ' ASP . 24.8 t -59.87 130.16 23.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 9.1 m-70 -103.5 141.34 36.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.604 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -134.8 128.89 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -111.39 107.44 16.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -110.49 145.74 37.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.502 ' HB3' HD23 ' A' ' 25' ' ' LEU . 1.2 tt0 -97.92 122.86 41.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.17 121.25 34.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.06 -62.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 26.4 p -100.26 162.48 20.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 110.424 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.465 ' CA ' ' ND2' ' A' ' 86' ' ' ASN . 18.4 Cg_endo -75.0 -7.65 19.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -91.55 -33.27 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.44 -39.34 94.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.851 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.7 tmm_? -57.82 -45.21 86.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -71.27 -41.91 69.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 110.364 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.9 mt-10 -60.32 -55.58 31.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.65 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 6.1 m95 -45.92 -59.77 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 108.009 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.904 HG23 HG11 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -43.2 -64.14 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.471 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.6 OUTLIER -54.97 -26.86 39.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -72.18 -57.43 4.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.586 HD12 ' O ' ' A' ' 111' ' ' TRP . 2.7 mp -58.16 -43.38 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.743 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.6 mt-30 -57.74 -52.08 66.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.472 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -48.17 -44.93 32.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.444 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -69.78 -66.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 118' ' ' ALA . 86.3 p -37.98 -49.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 68.3 mtt-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.243 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 13.8 mt -92.51 165.23 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.495 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -131.19 -44.02 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -145.95 147.52 31.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.562 ' HG2' HG23 ' A' ' 40' ' ' ILE . 34.6 mt-30 -146.5 157.66 43.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.68 179.26 31.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.152 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.6 p -98.1 142.76 29.39 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.488 ' C ' HD22 ' A' ' 25' ' ' LEU . 23.3 mt -135.73 164.18 28.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.786 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -103.15 98.51 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -90.95 127.95 36.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.737 HG22 HD11 ' A' ' 25' ' ' LEU . 23.0 t -72.67 135.21 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -150.65 158.6 44.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -88.7 139.79 30.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.682 ' CD1' HD11 ' A' ' 48' ' ' LEU . 10.4 m-85 -135.63 114.63 12.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.801 HD12 ' CE1' ' A' ' 51' ' ' TYR . 71.3 mt -108.78 131.79 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.6 tp -109.28 136.89 48.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.427 ' HA ' ' CD1' ' A' ' 19' ' ' ILE . 17.6 ptp180 -141.35 126.2 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -100.74 142.67 31.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.509 ' N ' ' C ' ' A' ' 45' ' ' PRO . 9.4 t70 57.77 76.42 0.47 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.509 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.0 169.34 74.82 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.013 -0.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.78 97.08 9.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.413 ' N ' HD12 ' A' ' 65' ' ' LEU . 6.7 m-85 -149.35 152.38 35.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.939 ' CD1' HD12 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -115.84 114.86 25.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.529 ' NE2' ' HB2' ' A' ' 62' ' ' ALA . 32.3 m80 -106.23 125.69 51.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.63 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 29.8 p90 -122.25 131.83 54.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.801 ' CE1' HD12 ' A' ' 40' ' ' ILE . 6.2 m-85 -119.13 160.6 21.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.471 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 5.0 t70 -70.28 143.63 91.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -49.98 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.544 1.813 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.471 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -43.35 -35.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 147.09 149.93 5.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . -179.81 176.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.35 -58.17 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.22 154.98 47.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.564 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.92 126.65 10.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 3.8 mt -42.87 -28.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 59' ' ' PRO . . . 168.86 -166.26 39.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.529 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . . . -141.31 147.62 38.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.939 HD12 ' CD1' ' A' ' 48' ' ' LEU . 49.1 mt -110.7 128.42 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.526 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 25.4 t60 -63.71 126.46 27.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.649 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' ' 66' ' ' ARG . 49.2 mt -118.5 -34.53 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.526 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 7.8 mtt180 -30.96 -45.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.488 ' H ' ' CD2' ' A' ' 64' ' ' HIS . . . -137.24 58.56 0.64 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.567 1.167 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 20.4 p -105.24 -177.48 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.7 t -137.55 147.27 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.025 HG11 HG23 ' A' ' 112' ' ' ILE . 38.4 t -114.53 140.6 34.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.474 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.0 OUTLIER -157.7 175.88 13.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 110.373 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.33 153.66 32.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.046 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.854 HG13 ' HA ' ' A' ' 88' ' ' PHE . 16.0 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -74.2 109.5 7.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.647 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -115.04 -179.24 3.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.854 ' HA ' HG13 ' A' ' 73' ' ' VAL . 12.8 p90 -169.14 149.02 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.552 ' OE1' HD11 ' A' ' 91' ' ' ILE . 6.2 tt0 -99.63 140.76 33.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.643 HD13 HD13 ' A' ' 115' ' ' ILE . 80.6 mt -132.67 103.45 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.552 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.4 mt -83.4 143.84 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.741 HG21 HG23 ' A' ' 63' ' ' ILE . 68.2 p -110.12 175.25 5.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.485 ' CB ' ' CD2' ' A' ' 64' ' ' HIS . . . -59.09 -20.22 51.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.823 ' HB3' HG23 ' A' ' 96' ' ' VAL . 56.2 t0 -91.61 -1.96 57.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.612 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 78.62 5.43 2.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.823 HG23 ' HB3' ' A' ' 94' ' ' ASP . 45.5 t -63.46 132.97 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.612 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 11.0 m-70 -106.97 138.18 43.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -132.18 141.77 49.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -115.51 109.15 17.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.654 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -117.29 139.52 50.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.647 ' HG3' HD23 ' A' ' 87' ' ' LEU . 4.3 tt0 -105.51 125.56 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -92.4 124.13 36.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.93 -53.18 6.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 38.4 p -108.07 163.28 17.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.96 -15.99 20.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -84.51 -31.53 24.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.528 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -68.08 -40.79 82.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.59 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.0 OUTLIER -54.02 -46.71 71.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.9 -41.57 78.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.428 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.88 -52.94 63.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.572 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 14.3 m95 -50.64 -61.24 2.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 108.002 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.025 HG23 HG11 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -40.38 -62.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.451 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -55.76 -39.56 71.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -56.07 -55.56 31.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.643 HD13 HD13 ' A' ' 90' ' ' ILE . 3.0 mt -58.86 -43.24 87.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.745 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.1 mt-30 -57.08 -52.01 67.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.452 ' SD ' HG21 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -47.97 -46.43 32.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.963 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -69.55 -65.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 79.9 p -43.49 -33.47 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.502 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 15.9 mt -93.35 165.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.502 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -141.17 -43.38 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HG2' ' CD2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -132.64 146.69 52.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.569 ' HG2' HG23 ' A' ' 40' ' ' ILE . 34.6 mt-30 -154.85 149.21 26.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.71 -170.9 34.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.2 m -99.85 152.2 20.41 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.534 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 16.6 mt -150.08 155.21 39.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.764 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -97.39 98.8 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -89.75 122.66 33.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HG2' ' CZ ' ' A' ' 37' ' ' ARG . 2.2 tttt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.632 HG22 HD11 ' A' ' 25' ' ' LEU . 16.4 t -79.75 135.28 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 35' ' ' LYS . 78.9 mtt-85 -153.06 152.2 31.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -80.36 141.65 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.611 ' CD2' HD11 ' A' ' 48' ' ' LEU . 8.1 m-85 -136.46 114.38 11.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.742 HD12 ' CE1' ' A' ' 51' ' ' TYR . 72.2 mt -109.86 132.0 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.47 HD21 ' O ' ' A' ' 114' ' ' ALA . 30.4 tp -108.38 139.02 43.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.457 ' CB ' ' CZ ' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -140.52 126.92 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -102.47 143.99 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.233 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.518 ' N ' ' C ' ' A' ' 45' ' ' PRO . 28.2 t70 54.28 76.06 0.56 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.518 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.0 170.49 71.71 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.973 0.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.33 95.97 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.651 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 5.7 m-85 -142.34 163.23 33.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.077 HD12 HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -133.76 111.1 10.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.587 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 63.6 m80 -102.76 144.7 30.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -136.48 122.43 20.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.742 ' CE1' HD12 ' A' ' 40' ' ' ILE . 12.9 m-85 -109.86 158.76 17.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 9.0 t70 -68.4 140.16 92.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.515 1.798 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.417 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -44.44 -30.08 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.25 142.13 4.28 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -169.77 -176.99 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -120.8 -63.54 1.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -93.69 162.29 27.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.96 128.17 11.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -47.32 -30.82 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 178.78 -162.29 29.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.587 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -156.22 152.25 27.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.077 HD12 HD12 ' A' ' 48' ' ' LEU . 13.6 mt -117.36 115.71 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.651 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 6.4 t-160 -64.05 128.74 37.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.616 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.407 ' HA ' ' SG ' ' A' ' 68' ' ' CYS . 25.9 mt -106.03 16.6 24.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.558 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -70.94 87.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.73 20.33 66.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 19.9 p -61.25 176.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.6 t -135.07 140.09 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.954 HG11 HG23 ' A' ' 112' ' ' ILE . 25.6 t -110.58 138.92 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -158.23 168.74 26.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.46 162.43 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.706 HG13 ' CA ' ' A' ' 88' ' ' PHE . 14.0 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.417 ' HG3' ' NE2' ' A' ' 101' ' ' GLN . 6.8 mt-10 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -85.11 114.29 22.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.637 HD12 HG21 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -123.52 170.48 10.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.706 ' CA ' HG13 ' A' ' 73' ' ' VAL . 19.4 p90 -156.7 148.84 23.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.544 ' OE1' HD11 ' A' ' 91' ' ' ILE . 3.9 tt0 -99.87 136.76 39.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.792 ' CD1' HD13 ' A' ' 115' ' ' ILE . 75.7 mt -130.03 116.91 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.544 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.4 mt -95.55 144.11 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.477 HG21 ' CG2' ' A' ' 63' ' ' ILE . 36.9 p -106.46 -172.2 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.41 1.069 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 66' ' ' ARG . . . -72.73 -7.7 51.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.815 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -105.62 2.14 27.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.504 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.3 mt-10 77.41 4.49 3.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.815 HG23 ' HB3' ' A' ' 94' ' ' ASP . 48.9 t -66.11 128.93 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.6 m-70 -100.91 144.3 30.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.607 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.637 ' CE1' HG12 ' A' ' 96' ' ' VAL . 79.0 m-85 -135.6 127.39 29.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -105.86 109.02 20.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.668 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -116.3 132.6 56.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.577 ' HG3' HD23 ' A' ' 87' ' ' LEU . 3.6 tt0 -97.35 131.01 44.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.781 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -103.24 124.65 49.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -39.67 -62.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.4 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 51.4 p -99.27 162.81 20.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -74.96 -18.27 18.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.6 ttpp -79.0 -28.42 43.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.781 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 2.4 tp10 -73.08 -41.47 64.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.731 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.7 tmm_? -46.16 -49.83 16.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.496 ' CG2' ' HD2' ' A' ' 113' ' ' LYS . 2.5 m -68.11 -63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 109' ' ' THR . 8.4 mt-10 -35.27 -57.74 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.671 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 3.0 m95 -49.8 -57.8 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 107.979 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.954 HG23 HG11 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -46.49 -63.82 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.556 ' N ' HG22 ' A' ' 112' ' ' ILE . 5.2 mtpt -50.19 -37.13 33.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -58.14 -51.93 67.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.792 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.6 mt -57.02 -52.31 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 117' ' ' MET . 38.6 mt-30 -49.43 -62.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.438 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.5 OUTLIER -36.89 -48.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -68.87 -53.75 19.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 60.4 p -46.85 -48.77 20.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.434 HG22 ' H ' ' A' ' 18' ' ' ILE . 1.8 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.512 ' C ' HD13 ' A' ' 19' ' ' ILE . 32.0 mt -105.06 166.03 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.908 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -140.85 -44.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -133.8 145.98 50.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.613 ' HG2' HG23 ' A' ' 40' ' ' ILE . 32.2 mt-30 -152.61 145.01 24.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.41 -158.33 31.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 37' ' ' ARG . 93.5 m -124.75 140.26 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.473 ' C ' HD22 ' A' ' 25' ' ' LEU . 78.2 mt -131.71 166.8 20.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.816 HD11 HG22 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -104.29 99.48 9.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -85.39 112.33 20.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.816 HG22 HD11 ' A' ' 25' ' ' LEU . 39.5 t -64.42 141.69 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 1.0 OUTLIER -153.13 148.2 26.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -85.34 128.31 34.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CD2' HD11 ' A' ' 48' ' ' LEU . 9.9 m-85 -124.79 121.36 34.37 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.761 ' O ' HD22 ' A' ' 48' ' ' LEU . 86.0 mt -113.75 133.76 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.9 tp -108.02 138.18 44.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 45' ' ' PRO . 14.9 mtt85 -138.74 121.06 15.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.908 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -100.32 143.31 30.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.514 ' N ' ' C ' ' A' ' 45' ' ' PRO . 27.8 t70 51.06 76.51 0.54 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.514 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.05 169.62 74.06 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.954 0.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.13 95.71 7.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.537 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 6.4 m-85 -144.07 146.58 32.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.05 HD12 HD12 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -120.34 110.54 16.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.999 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 72.4 m80 -108.35 144.91 35.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.578 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 4.6 p90 -128.95 144.51 51.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.717 ' CE1' HD12 ' A' ' 40' ' ' ILE . 0.8 OUTLIER -131.35 166.19 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.427 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 3.6 t70 -70.42 132.55 87.62 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.6 5.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.771 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.427 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -53.75 -26.75 24.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.4 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . 128.75 114.1 1.75 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -159.02 -174.24 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -123.71 -65.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -73.85 135.64 77.42 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.577 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.98 130.74 13.58 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.593 ' H ' HD22 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -39.75 -45.8 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.454 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . -170.39 -171.35 35.71 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.999 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -140.17 170.93 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.05 HD12 HD12 ' A' ' 48' ' ' LEU . 14.7 mt -132.65 117.4 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 3.7 t-160 -61.64 127.79 33.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.642 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 47' ' ' TYR . 21.9 mt -108.47 7.72 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.43 -61.31 2.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.14 36.08 2.81 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.8 p -74.29 179.82 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.9 t -146.31 149.99 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.886 HG11 HG23 ' A' ' 112' ' ' ILE . 42.4 t -116.63 142.5 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.58 168.59 26.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.88 154.99 26.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.009 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.9 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 105' ' ' PRO . 53.3 m-80 -68.3 118.77 11.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.553 HD22 ' HB2' ' A' ' 101' ' ' GLN . 0.5 OUTLIER -114.78 175.22 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 24.1 p90 -169.74 152.25 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.59 ' OE1' ' CD1' ' A' ' 99' ' ' PHE . 0.7 OUTLIER -103.55 136.95 42.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.658 ' CD1' HD13 ' A' ' 115' ' ' ILE . 60.5 mt -126.15 103.92 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -80.26 137.94 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.593 HG22 ' CG2' ' A' ' 63' ' ' ILE . 48.2 p -97.5 -165.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.48 -19.96 51.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.881 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.7 OUTLIER -94.26 0.9 55.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.8 mt-10 83.82 -0.54 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.881 HG23 ' HB3' ' A' ' 94' ' ' ASP . 44.5 t -59.47 132.53 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 3.6 m-70 -107.49 141.66 38.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.552 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -133.05 128.78 37.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.59 ' CD1' ' OE1' ' A' ' 89' ' ' GLU . 71.7 m-85 -103.8 107.61 18.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.3 mm? -108.51 170.18 8.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.553 ' HB2' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -136.38 133.65 36.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.414 ' HB1' ' HG2' ' A' ' 107' ' ' GLU . . . -105.86 149.12 26.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.16 -66.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.6 p -87.87 162.93 39.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.417 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.417 ' HA ' ' ND2' ' A' ' 86' ' ' ASN . 18.2 Cg_endo -75.01 -22.15 15.08 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.5 1.789 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.36 -35.61 54.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.414 ' HG2' ' HB1' ' A' ' 102' ' ' ALA . 5.3 tt0 -60.64 -56.66 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.726 ' O ' HD12 ' A' ' 112' ' ' ILE . 6.2 ttp180 -38.98 -48.49 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -68.91 -53.02 23.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -46.51 -54.27 9.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.536 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 7.0 m95 -49.01 -61.54 2.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 107.971 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.886 HG23 HG11 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -39.68 -64.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.508 ' N ' HG22 ' A' ' 112' ' ' ILE . 27.5 mtmt -54.23 -42.77 70.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -53.57 -58.48 7.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.658 HD13 ' CD1' ' A' ' 90' ' ' ILE . 4.7 mt -54.25 -44.96 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.612 ' HG2' HG21 ' A' ' 70' ' ' VAL . 3.8 mt-30 -55.67 -59.61 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.527 ' SD ' HG21 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -40.83 -44.18 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 0.0 110.985 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.445 ' HA ' ' CB ' ' A' ' 43' ' ' GLU . . . -70.99 -68.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 118' ' ' ALA . 55.0 p -36.37 -58.12 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.412 ' HD2' ' O ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.533 HG22 ' H ' ' A' ' 18' ' ' ILE . 7.4 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.825 HG21 ' CD ' ' A' ' 21' ' ' GLN . 50.9 mm -90.6 143.64 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.431 HG21 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -112.85 -35.19 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -155.69 148.93 24.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.825 ' CD ' HG21 ' A' ' 18' ' ' ILE . 46.0 mt-30 -145.66 168.54 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.23 -174.68 28.74 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.2 m -108.92 134.71 51.23 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.531 HD11 ' CE2' ' A' ' 111' ' ' TRP . 32.9 mt -130.39 158.94 38.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.791 ' CD1' HG22 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -94.45 99.89 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HE2' ' CD1' ' A' ' 98' ' ' TYR . 20.5 tttt -86.08 98.07 10.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 5.8 mtpt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.791 HG22 ' CD1' ' A' ' 25' ' ' LEU . 36.6 t -107.58 142.29 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.69 150.44 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.554 ' HE2' HD11 ' A' ' 40' ' ' ILE . 3.2 tttm -80.39 142.18 34.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.651 ' CD2' HD11 ' A' ' 48' ' ' LEU . 12.1 m-85 -136.34 122.84 20.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.776 HD12 ' CE1' ' A' ' 51' ' ' TYR . 69.1 mt -119.46 130.17 74.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.5 tp -107.8 136.84 46.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.401 ' HA ' ' CD1' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -139.74 124.84 18.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -100.33 142.67 31.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.52 ' N ' ' C ' ' A' ' 45' ' ' PRO . 4.8 m-20 54.36 76.11 0.55 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.52 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.03 168.99 75.78 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.976 -2.51 . . . . 0.0 110.999 0.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.41 100.9 12.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.438 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 9.3 m-85 -149.8 160.45 43.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.083 HD12 HD12 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -129.92 110.37 11.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.672 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 71.7 m80 -105.42 139.82 39.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 2.0 p90 -125.79 150.2 47.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.776 ' CE1' HD12 ' A' ' 40' ' ' ILE . 1.2 m-85 -136.0 163.71 29.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.664 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 5.9 t70 -74.75 140.27 74.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -40.4 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.664 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -46.71 -43.19 17.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.29 131.22 2.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -161.26 -161.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -128.5 -62.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.85 152.3 40.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.575 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -75.03 134.37 17.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.573 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -40.07 -46.44 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.55 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . -171.48 -163.24 25.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.672 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -143.93 162.75 35.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.083 HD12 HD12 ' A' ' 48' ' ' LEU . 13.2 mt -124.45 116.87 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 5.1 t-160 -58.59 132.11 52.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.8 mt -115.03 -1.01 13.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.553 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -38.53 -64.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -129.2 35.37 2.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.9 p -67.6 171.58 6.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.05 146.06 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.142 HG11 HG23 ' A' ' 112' ' ' ILE . 39.7 t -113.12 140.67 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.416 HG22 ' HB3' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -157.52 172.99 17.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.45 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.97 147.74 43.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.832 HG22 ' O ' ' A' ' 87' ' ' LEU . 33.2 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -92.85 111.72 23.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.832 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -126.4 174.26 8.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.624 ' HA ' HG13 ' A' ' 73' ' ' VAL . 19.0 p90 -153.89 148.4 26.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.416 ' HB3' HG22 ' A' ' 71' ' ' THR . 40.2 tt0 -100.24 133.33 44.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.653 ' CD1' HD13 ' A' ' 115' ' ' ILE . 89.2 mt -124.96 106.03 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.401 HG12 ' ND1' ' A' ' 97' ' ' HIS . 2.6 mt -83.76 142.49 13.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.614 HG21 HG23 ' A' ' 63' ' ' ILE . 31.7 p -106.38 -179.09 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.451 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.98 -12.94 58.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.803 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.6 OUTLIER -98.06 0.21 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.588 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.5 mt-10 77.73 4.46 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.803 HG23 ' HB3' ' A' ' 94' ' ' ASP . 45.2 t -67.53 130.14 32.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 3.2 m-70 -103.82 147.14 27.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.563 ' CD1' ' HE2' ' A' ' 26' ' ' LYS . 38.3 m-85 -141.57 123.77 15.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -98.89 107.2 19.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 1.6 mm? -108.59 128.59 54.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.573 ' HB2' HD22 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -93.97 116.04 28.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.448 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -83.42 142.03 31.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.36 -62.36 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.4 p -106.62 167.53 9.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -8.09 19.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -88.57 -35.06 17.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.448 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 2.3 tp10 -68.13 -44.19 76.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.586 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -50.15 -46.6 54.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -69.34 -42.31 75.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.399 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.2 mt-10 -59.39 -56.39 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.687 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 9.7 m95 -42.28 -61.88 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 108.061 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.142 HG23 HG11 ' A' ' 70' ' ' VAL . 2.4 mt -40.16 -68.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.486 ' N ' HG22 ' A' ' 112' ' ' ILE . 1.3 mtmt -51.33 -31.81 23.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -65.51 -58.14 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.653 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.5 mt -59.28 -39.02 77.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.898 ' HG2' HG21 ' A' ' 70' ' ' VAL . 3.1 mm100 -61.74 -49.18 77.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.487 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -49.47 -43.87 45.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.67 -57.56 4.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 91.6 p -51.84 -31.12 26.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 116' ' ' GLN . 38.0 mmt-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.99 100.06 4.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 0.749 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -165.75 140.96 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.65 142.07 7.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.56 108.71 12.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 110.022 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p 51.4 75.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.1 -86.75 1.63 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.421 HG22 ' N ' ' A' ' 9' ' ' ILE . 14.4 p -135.8 163.63 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.574 0.808 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.421 ' N ' HG22 ' A' ' 8' ' ' VAL . 1.8 mp -45.62 154.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.67 HD12 ' CD ' ' A' ' 15' ' ' ARG . 2.0 tm? -98.21 116.21 29.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.54 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -55.43 -168.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -110.31 -46.51 3.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.73 -12.94 52.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.587 ' CD1' ' CZ ' ' A' ' 42' ' ' ARG . 20.3 m-85 -110.76 17.6 20.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.67 ' CD ' HD12 ' A' ' 10' ' ' LEU . 39.7 mmm-85 -78.28 53.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.59 -158.31 8.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.435 HG22 ' N ' ' A' ' 18' ' ' ILE . 10.4 p -127.11 166.57 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.489 HD13 ' HA ' ' A' ' 18' ' ' ILE . 13.3 mm -91.84 143.89 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.453 ' CG2' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -115.37 -36.92 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HG2' ' CH2' ' A' ' 111' ' ' TRP . 30.7 tttp -156.22 146.76 21.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.472 ' HG2' HG23 ' A' ' 40' ' ' ILE . 34.8 mt-30 -144.29 147.87 34.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.32 -171.08 43.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.6 m -106.61 135.11 48.7 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 101' ' ' GLN . 13.5 mt -131.1 157.1 44.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.793 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -103.69 100.43 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 37.8 tttt -84.33 127.84 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -81.48 175.58 10.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.77 176.88 20.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -73.94 -52.88 11.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 109.615 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -49.47 -31.63 10.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? 64.83 53.17 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.71 87.41 2.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 58.0 166.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.349 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 84' ' ' GLU . 4.6 m95 -99.32 176.58 5.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 107.988 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.78 116.45 8.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.791 HG22 HD11 ' A' ' 25' ' ' LEU . 39.3 t -58.98 138.42 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.84 141.42 19.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 10.8 tttt -79.98 98.39 7.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.686 ' CD2' HD11 ' A' ' 48' ' ' LEU . 5.2 m-85 -87.73 113.27 23.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.872 HD12 ' CE1' ' A' ' 51' ' ' TYR . 72.4 mt -106.67 129.87 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.423 HD23 HG13 ' A' ' 19' ' ' ILE . 19.9 tp -107.6 136.78 46.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.587 ' CZ ' ' CD1' ' A' ' 14' ' ' PHE . 1.8 ptm180 -139.05 124.55 19.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -100.01 141.29 33.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.523 ' N ' ' C ' ' A' ' 45' ' ' PRO . 39.9 t0 56.75 75.81 0.54 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.523 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.0 169.97 73.12 Favored 'Cis proline' 0 C--N 1.359 1.107 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.966 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.72 98.74 9.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.684 ' CZ ' ' CD2' ' A' ' 64' ' ' HIS . 6.5 m-85 -145.64 157.81 43.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.873 HD12 HD12 ' A' ' 63' ' ' ILE . 1.3 tm? -123.66 110.69 15.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.157 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.791 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 58.5 m80 -105.95 140.31 39.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 27.2 p90 -130.09 120.96 25.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.872 ' CE1' HD12 ' A' ' 40' ' ' ILE . 17.2 m-85 -106.96 175.04 5.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.711 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 7.7 t70 -87.53 139.13 31.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.47 ' HG3' HG12 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -75.03 -37.05 2.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.711 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -49.31 -41.59 38.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.49 -95.24 0.11 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.575 1.172 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 62.15 -175.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -137.74 -55.25 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.84 163.26 22.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.518 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.0 133.27 16.37 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 1.3 mt -52.45 -28.19 19.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -178.83 -154.27 12.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.791 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -164.21 150.49 11.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.873 HD12 HD12 ' A' ' 48' ' ' LEU . 9.7 mt -117.51 119.06 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.684 ' CD2' ' CZ ' ' A' ' 47' ' ' TYR . 4.7 t-160 -65.51 139.22 58.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.568 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.438 HD22 ' SG ' ' A' ' 68' ' ' CYS . 14.2 mt -125.03 7.13 7.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.5 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 7.1 ptt180 -45.56 -27.16 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -165.27 36.75 0.27 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.466 1.103 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.438 ' SG ' HD22 ' A' ' 65' ' ' LEU . 31.1 p -72.1 172.12 10.7 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.4 t -132.38 146.72 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.997 HG11 HG23 ' A' ' 112' ' ' ILE . 31.8 t -113.43 139.83 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.84 158.47 36.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.411 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.23 157.6 16.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.656 HG21 ' HB2' ' A' ' 87' ' ' LEU . 26.9 m -103.75 -173.55 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -86.91 -52.3 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 40.41 80.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -43.17 -69.39 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.19 98.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -167.73 140.99 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 106.48 -112.57 3.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.41 166.38 30.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 0.743 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 77.04 -62.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.84 82.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.496 ' CG ' ' OE2' ' A' ' 84' ' ' GLU . 1.6 tp10 -45.87 -52.1 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 34' ' ' TRP . 4.1 mp0 -138.22 125.07 21.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -130.43 149.69 52.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.538 ' O ' HD23 ' A' ' 87' ' ' LEU . 86.5 m-20 58.03 86.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.656 ' HB2' HG21 ' A' ' 73' ' ' VAL . 2.1 mt -132.76 170.34 15.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 25.9 p90 -168.99 146.76 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 90' ' ' ILE . 1.1 tt0 -99.93 136.5 39.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.428 ' N ' ' HG2' ' A' ' 89' ' ' GLU . 82.7 mt -126.17 103.53 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -79.51 139.67 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.8 p -101.89 -171.54 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.431 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.32 -18.57 61.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.616 ' HB3' HG23 ' A' ' 96' ' ' VAL . 2.1 m-20 -94.21 0.04 55.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.5 mt-10 80.93 0.2 1.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.616 HG23 ' HB3' ' A' ' 94' ' ' ASP . 40.0 t -58.94 135.98 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 8.8 m-70 -108.07 139.9 42.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.603 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -137.42 125.18 22.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -102.95 107.27 18.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.7 mm? -101.45 173.65 6.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.628 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -139.59 128.03 22.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.539 ' HB1' ' HG2' ' A' ' 107' ' ' GLU . . . -99.55 145.01 27.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.64 -63.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.1 p -91.99 162.14 31.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.438 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -9.22 20.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.791 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -90.58 -33.69 15.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.539 ' HG2' ' HB1' ' A' ' 102' ' ' ALA . 1.9 tt0 -65.67 -45.05 84.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.702 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -49.0 -47.61 44.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -70.62 -52.69 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.445 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.3 mt-10 -48.73 -53.52 18.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.257 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.651 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 2.9 m95 -47.19 -62.14 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.997 HG23 HG11 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -39.82 -66.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 112' ' ' ILE . 23.3 mtmt -52.64 -37.77 59.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -57.18 -57.29 13.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -58.18 -44.99 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.716 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.4 mt-30 -55.59 -50.29 70.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.485 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -50.41 -44.27 55.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -72.48 -57.89 3.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 80.4 p -48.29 -32.5 7.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.416 ' C ' ' OG1' ' A' ' 121' ' ' THR . 27.6 mmt180 -59.62 -29.05 67.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.416 ' OG1' ' C ' ' A' ' 120' ' ' ARG . 1.4 p 43.76 -168.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -128.35 29.53 4.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.4 -179.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.78 99.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.026 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -172.68 -158.88 18.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 91.96 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.2 t 74.68 -68.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.1 m 63.54 114.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.958 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.76 142.9 14.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.987 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 p -108.78 -58.18 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.989 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.09 114.53 0.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.448 1.092 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -170.26 158.76 6.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p -106.68 -58.3 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.83 57.42 0.08 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.3 t -131.81 144.93 35.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -41.4 156.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.677 HD12 ' CD ' ' A' ' 15' ' ' ARG . 2.3 tm? -116.7 118.51 32.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.586 ' O ' HD13 ' A' ' 10' ' ' LEU . 11.7 mttt -55.76 -168.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -111.61 -46.49 3.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.519 ' HG3' ' CE1' ' A' ' 14' ' ' PHE . 9.9 pt-20 -65.36 -11.81 45.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.519 ' CE1' ' HG3' ' A' ' 13' ' ' GLU . 20.2 m-30 -112.2 17.46 19.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.677 ' CD ' HD12 ' A' ' 10' ' ' LEU . 16.2 mmm180 -77.15 54.84 1.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -158.65 -176.32 30.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.507 HG22 ' H ' ' A' ' 18' ' ' ILE . 6.3 p -111.82 170.48 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.764 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.636 HD12 ' CG2' ' A' ' 40' ' ' ILE . 26.8 mm -91.32 139.22 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.42 HG13 HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -112.75 -31.03 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -158.99 149.33 19.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.25 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.481 ' HG3' ' CG2' ' A' ' 18' ' ' ILE . 30.5 mt-30 -152.23 151.14 30.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.57 178.93 35.92 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.483 ' O ' HD23 ' A' ' 24' ' ' LEU . 4.1 m -95.57 148.46 22.49 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.507 ' C ' HD22 ' A' ' 25' ' ' LEU . 45.0 mt -141.33 164.32 30.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.806 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -105.99 99.26 8.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' GLN . 16.0 tttt -82.48 107.16 14.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' LYS . 1.8 tm0? -37.78 141.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' ARG . . . -159.48 76.82 0.19 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.551 1.157 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 0.6 OUTLIER -63.31 79.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 0.0 109.595 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 28' ' ' GLY . 17.3 mtt180 -108.6 -47.28 3.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.39 -42.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.331 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -99.56 177.3 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -53.65 -173.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -59.64 -167.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.07 126.59 16.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.785 HG22 ' CD1' ' A' ' 25' ' ' LEU . 24.5 t -70.46 137.32 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.82 151.22 31.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -88.1 135.1 33.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.788 ' CD2' HD11 ' A' ' 48' ' ' LEU . 15.0 m-85 -130.1 120.87 25.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.954 HD12 ' CE1' ' A' ' 51' ' ' TYR . 89.9 mt -113.23 130.7 66.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.42 HD23 HG13 ' A' ' 19' ' ' ILE . 18.3 tp -108.32 135.16 50.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.52 125.26 18.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -99.67 142.29 31.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.505 ' N ' ' C ' ' A' ' 45' ' ' PRO . 4.4 m-20 57.49 76.65 0.46 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.505 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.0 169.94 73.21 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.009 -0.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.444 ' HB2' HG22 ' A' ' 121' ' ' THR . . . -96.7 99.68 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.447 ' N ' HD12 ' A' ' 65' ' ' LEU . 6.8 m-85 -148.37 166.81 26.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.977 ' CD1' HD12 ' A' ' 63' ' ' ILE . 1.5 tm? -132.53 112.27 11.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.74 ' NE2' ' HB2' ' A' ' 62' ' ' ALA . 38.4 m80 -109.35 129.23 55.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.621 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 7.9 p90 -118.98 121.08 39.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.954 ' CE1' HD12 ' A' ' 40' ' ' ILE . 11.1 m-85 -107.47 151.56 25.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.418 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 8.1 t70 -58.8 135.61 86.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -46.95 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.418 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -47.25 -33.4 5.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 146.97 143.71 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 178.93 -178.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -122.53 -63.65 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -87.26 156.47 54.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.555 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.97 139.43 24.35 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.461 1.769 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 4.4 mt -54.93 -32.0 60.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 176.61 -174.46 47.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.74 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . . . -131.71 165.31 24.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.977 HD12 ' CD1' ' A' ' 48' ' ' LEU . 24.4 mt -133.45 116.2 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.612 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 1.9 t-80 -53.86 126.7 23.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.574 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 47' ' ' TYR . 85.5 mt -113.04 -30.23 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.612 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 3.0 mtt-85 -37.3 -47.45 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.78 56.97 0.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.42 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 17.7 p -108.89 177.65 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.6 t -136.52 152.93 30.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.922 HG11 HG23 ' A' ' 112' ' ' ILE . 24.3 t -117.71 139.36 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.49 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -158.74 172.4 18.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.446 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.08 152.51 34.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.662 HG23 ' H ' ' A' ' 75' ' ' SER . 20.6 m -70.71 -162.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -130.93 28.09 4.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.662 ' H ' HG23 ' A' ' 73' ' ' VAL . 39.1 t -52.76 142.9 17.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -162.59 103.82 1.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.34 143.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -163.29 129.64 3.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -165.87 -121.81 0.58 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.95 -62.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -177.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -132.33 97.94 4.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -74.01 -67.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -138.45 122.93 18.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -77.47 -148.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.541 ' O ' HD23 ' A' ' 87' ' ' LEU . 58.2 m-80 -75.44 131.27 40.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.564 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -139.22 166.04 25.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 9.7 p90 -155.02 144.87 21.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.49 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 10.2 tt0 -99.79 137.48 38.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.854 ' CD1' HD13 ' A' ' 115' ' ' ILE . 87.5 mt -129.62 111.29 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.444 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.5 mt -89.58 146.47 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.692 HG21 HG23 ' A' ' 63' ' ' ILE . 43.0 p -112.96 174.86 5.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.429 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.72 -18.01 27.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.545 ' HB2' HG23 ' A' ' 96' ' ' VAL . 15.5 m-20 -91.91 -5.3 53.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.7 mt-10 81.17 3.65 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.545 HG23 ' HB2' ' A' ' 94' ' ' ASP . 48.6 t -64.7 130.14 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.9 m-70 -102.19 136.83 41.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.636 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.48 ' CE2' HG12 ' A' ' 96' ' ' VAL . 61.6 m-85 -132.96 116.86 16.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -100.29 107.46 19.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.699 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -110.93 151.18 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.564 ' HG3' HD23 ' A' ' 87' ' ' LEU . 3.8 tt0 -109.73 128.92 55.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.401 ' HB1' ' HG2' ' A' ' 107' ' ' GLU . . . -95.07 145.92 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.21 -65.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.403 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 48.1 p -92.84 162.26 29.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.341 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.403 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.99 -13.91 21.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 -28.58 21.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.401 ' HG2' ' HB1' ' A' ' 102' ' ' ALA . 4.5 tt0 -68.44 -49.7 57.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.691 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -45.02 -44.78 10.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.266 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -70.65 -52.15 23.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.391 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.0 mt-10 -48.81 -53.24 20.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.665 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 9.5 m95 -46.77 -60.98 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.922 HG23 HG11 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -41.3 -64.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.521 ' N ' HG22 ' A' ' 112' ' ' ILE . 6.6 mtmt -54.16 -33.38 57.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -62.32 -57.75 10.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.854 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.6 mt -57.64 -42.64 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.797 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.3 mt-30 -58.14 -51.74 68.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.486 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -48.7 -43.98 37.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.434 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -73.13 -61.98 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.2 p -47.16 -32.2 4.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -59.91 -33.55 72.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.342 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.444 HG22 ' HB2' ' A' ' 46' ' ' ALA . 19.2 p 45.78 -167.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 110.376 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -124.41 10.31 8.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.54 -170.48 3.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.7 p 177.81 84.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.1 168.6 25.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -44.3 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.479 1.779 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.79 169.18 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.05 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 66.87 106.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.968 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m 60.27 157.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.968 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.3 m -146.8 -55.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.973 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.77 159.86 14.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.11 129.33 35.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 0.783 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 m -140.29 -51.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.02 -143.32 16.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 9' ' ' ILE . 2.6 t 58.56 161.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.471 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.9 mp -50.03 146.51 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.766 HD12 ' HB3' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -114.09 121.51 44.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.551 ' HD3' ' CE2' ' A' ' 14' ' ' PHE . 9.9 mttp -59.48 -164.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.472 ' HA ' ' HG2' ' A' ' 15' ' ' ARG . 1.6 mt-10 -110.48 -17.98 13.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.452 ' HG3' ' CE1' ' A' ' 14' ' ' PHE . 2.0 pm0 -92.92 -31.18 15.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.7 ' O ' HD11 ' A' ' 10' ' ' LEU . 13.6 m-85 -97.73 35.55 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.766 ' HB3' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -127.73 8.37 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.271 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.14 -164.1 40.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.416 HG22 ' H ' ' A' ' 18' ' ' ILE . 8.3 p -124.13 167.25 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.68 HD12 ' CG2' ' A' ' 40' ' ' ILE . 26.8 mm -99.63 141.0 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -113.79 -32.85 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HD3' ' CE2' ' A' ' 111' ' ' TRP . 8.2 tttp -162.71 141.37 8.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.646 ' HG2' HG23 ' A' ' 40' ' ' ILE . 60.5 mt-30 -133.24 163.04 30.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.53 -178.66 31.19 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.563 1.165 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 90.3 m -105.34 148.9 26.56 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.49 ' C ' HD22 ' A' ' 25' ' ' LEU . 19.4 mt -141.76 164.34 30.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.8 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -104.33 99.75 9.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -89.75 110.57 21.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.77 169.27 14.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.28 -109.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -131.98 -60.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.572 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.71 -46.82 4.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 110.352 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.9 124.05 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -153.52 -168.87 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -101.22 121.47 41.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -49.9 116.39 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.017 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 8.9 mttt -113.75 142.78 45.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.786 HG22 HD11 ' A' ' 25' ' ' LEU . 24.1 t -83.73 140.04 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -156.86 149.27 23.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' O ' ' CA ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -79.49 137.86 37.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.71 ' CD2' HD11 ' A' ' 48' ' ' LEU . 9.0 m-85 -133.19 118.32 18.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.694 HD12 ' CE1' ' A' ' 51' ' ' TYR . 68.2 mt -114.19 131.57 65.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.502 HD11 HD13 ' A' ' 65' ' ' LEU . 23.5 tp -107.74 136.14 47.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' HA ' ' CD1' ' A' ' 19' ' ' ILE . 1.5 ptm180 -139.46 124.7 18.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -100.0 142.78 31.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.338 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.523 ' N ' ' C ' ' A' ' 45' ' ' PRO . 7.0 t0 57.77 75.93 0.51 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.523 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.01 169.66 73.97 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.007 0.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.81 96.45 9.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.4 ' CE1' ' HD2' ' A' ' 64' ' ' HIS . 6.3 m-85 -144.81 162.09 37.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.922 HD12 HD12 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -130.75 110.69 11.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -105.56 136.37 45.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.601 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.519 ' CD1' ' HB2' ' A' ' 60' ' ' LEU . 28.2 p90 -127.97 120.02 26.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.694 ' CE1' HD12 ' A' ' 40' ' ' ILE . 6.0 m-85 -110.5 156.89 20.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 9.7 t70 -59.06 139.06 87.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.41 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -49.4 -34.95 17.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 152.49 148.03 4.75 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.408 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . . . 179.9 -173.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.774 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 82.6 mm-40 -136.03 -62.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -83.65 158.35 62.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.452 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.02 132.8 15.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.519 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 5.5 mt -57.22 -29.02 63.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -178.49 -174.86 45.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.07 151.52 47.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 0.733 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.922 HD12 HD12 ' A' ' 48' ' ' LEU . 10.4 mt -128.32 116.46 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.547 ' CE1' ' HB3' ' A' ' 66' ' ' ARG . 2.8 t-160 -60.91 128.04 34.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.569 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.502 HD13 HD11 ' A' ' 41' ' ' LEU . 86.8 mt -111.96 -15.7 13.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.547 ' HB3' ' CE1' ' A' ' 64' ' ' HIS . 0.3 OUTLIER -44.73 -62.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.86 48.72 0.91 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 15.4 p -95.56 176.72 6.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.2 t -138.48 145.85 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.978 HG11 HG23 ' A' ' 112' ' ' ILE . 36.0 t -111.04 139.91 32.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.497 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -158.56 174.17 15.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.22 158.52 21.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.731 HG13 ' HA ' ' A' ' 88' ' ' PHE . 13.4 m -92.83 -161.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -134.96 75.65 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.5 m -103.1 136.68 42.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -126.8 118.63 25.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 t -177.82 160.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 t30 177.12 142.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.99 -170.52 25.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.091 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.59 -66.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 130.89 45.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.32 82.77 1.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.42 -53.99 20.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -138.41 121.96 17.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -74.12 -147.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -86.58 113.78 22.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.568 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -124.88 166.71 15.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.345 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.731 ' HA ' HG13 ' A' ' 73' ' ' VAL . 13.3 p90 -154.62 150.94 28.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.497 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 11.6 tt0 -99.96 139.81 35.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.549 ' CD1' HD13 ' A' ' 115' ' ' ILE . 98.8 mt -132.32 105.82 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.471 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.5 mt -83.95 146.4 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.525 HG21 HG23 ' A' ' 63' ' ' ILE . 73.4 p -111.26 175.05 5.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.35 -20.51 55.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.785 ' HB3' HG23 ' A' ' 96' ' ' VAL . 13.4 t70 -91.91 -1.5 57.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.6 mt-10 80.58 1.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.785 HG23 ' HB3' ' A' ' 94' ' ' ASP . 47.7 t -61.54 132.13 26.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 8.1 m-70 -105.62 146.07 30.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.558 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -140.91 133.71 28.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -109.15 109.41 20.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.687 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -113.01 132.38 55.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.477 ' HB3' HD23 ' A' ' 25' ' ' LEU . 0.9 OUTLIER -97.33 123.82 41.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.65 ' HB3' ' HB2' ' A' ' 108' ' ' ARG . . . -94.78 132.22 39.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.66 -61.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.7 p -106.83 167.88 8.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.457 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.23 21.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -77.85 -48.62 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.424 ' HG3' ' CD1' ' A' ' 111' ' ' TRP . 1.7 tp10 -58.17 -49.52 76.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.65 ' HB2' ' HB3' ' A' ' 102' ' ' ALA . 2.3 tmm_? -47.55 -42.68 24.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -73.8 -38.73 64.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.375 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 114' ' ' ALA . 10.4 mt-10 -63.76 -52.0 62.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.607 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 11.6 m95 -48.88 -60.74 2.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 107.96 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.978 HG23 HG11 ' A' ' 70' ' ' VAL . 1.2 mt -40.02 -61.78 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.442 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -57.38 -36.3 71.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -57.95 -54.72 43.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.549 HD13 ' CD1' ' A' ' 90' ' ' ILE . 1.9 mp -60.14 -43.08 92.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.751 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.1 mt-30 -57.9 -48.88 78.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -51.49 -45.23 62.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.488 ' O ' HG22 ' A' ' 121' ' ' THR . . . -72.27 -64.85 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.0 p -45.43 -34.26 3.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.033 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 121' ' ' THR . 17.8 mmt180 -61.58 -44.7 96.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 118' ' ' ALA . 1.9 t -38.91 146.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.401 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -81.45 -75.04 1.13 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.33 98.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.743 . . . . 0.0 109.266 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.47 -56.0 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -149.64 -145.34 4.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.102 . . . . 0.0 111.039 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 131.02 13.81 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.3 t -84.7 144.31 28.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.23 156.35 25.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.039 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.454 1.096 . . . . 0.0 111.024 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.27 83.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -108.12 125.69 51.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.15 100.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -130.48 110.9 11.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -86.23 151.06 23.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.57 -106.84 0.23 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.103 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.2 t -133.75 151.89 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.45 ' HA ' HD13 ' A' ' 9' ' ' ILE . 3.5 mm -40.53 156.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 11' ' ' LYS . 1.5 tm? -122.69 110.27 15.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.51 ' O ' HD13 ' A' ' 10' ' ' LEU . 20.3 mttt -56.73 -169.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -110.22 -38.56 5.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -69.6 -13.28 62.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 42' ' ' ARG . 20.6 m-30 -110.64 13.9 22.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.48 ' CD ' HD12 ' A' ' 10' ' ' LEU . 18.6 mmm180 -72.23 75.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.7 -154.94 25.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p -129.21 158.46 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 4.8 mt -83.9 160.04 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.766 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -119.2 -40.11 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HZ1' ' HB3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -156.46 131.98 9.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.436 ' NE2' HD13 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -152.33 158.9 43.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.73 -115.96 0.55 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.438 ' O ' HD23 ' A' ' 24' ' ' LEU . 1.7 p -148.17 136.1 21.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.501 HD11 ' CD1' ' A' ' 111' ' ' TRP . 18.0 mt -136.58 162.34 33.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.869 HD11 HG22 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -104.31 99.53 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -85.7 128.22 34.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -90.74 -177.81 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 148.83 -156.2 26.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.132 . . . . 0.0 111.044 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.71 57.26 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.624 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.416 ' NH2' ' HD2' ' A' ' 35' ' ' LYS . 4.2 mmm180 -109.23 -20.72 12.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 65.63 -178.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp 48.53 -172.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -50.45 177.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.566 ' HH2' HD13 ' A' ' 87' ' ' LEU . 7.3 m0 -75.72 171.16 14.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HD2' ' NH2' ' A' ' 30' ' ' ARG . 10.6 mmtt -123.57 117.46 25.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.869 HG22 HD11 ' A' ' 25' ' ' LEU . 42.6 t -61.21 145.77 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.35 144.72 22.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -86.29 102.36 13.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.828 ' CD2' HD11 ' A' ' 48' ' ' LEU . 12.2 m-85 -96.29 118.27 32.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.924 HD12 ' CE1' ' A' ' 51' ' ' TYR . 21.6 mt -111.04 128.25 67.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 18' ' ' ILE . 16.2 tp -108.32 137.19 46.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.409 ' CZ ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -142.87 130.26 21.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 110.261 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.766 ' HG2' HD12 ' A' ' 19' ' ' ILE . 1.4 pt-20 -100.32 141.01 33.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.511 ' N ' ' C ' ' A' ' 45' ' ' PRO . 4.8 m-20 58.42 76.76 0.44 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.511 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.05 170.16 72.61 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.984 0.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.697 ' HB2' HG22 ' A' ' 121' ' ' THR . . . -98.84 96.08 7.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -144.66 163.38 34.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.955 HD12 HD12 ' A' ' 63' ' ' ILE . 1.3 tm? -129.54 111.67 12.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -102.47 139.25 38.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.562 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 21.6 p90 -127.31 120.07 27.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.924 ' CE1' HD12 ' A' ' 40' ' ' ILE . 17.5 m-85 -107.65 175.71 5.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 3.1 t70 -91.31 145.43 31.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -50.88 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.466 1.771 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.449 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -43.36 -42.92 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 148.19 144.46 3.98 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 111.029 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -167.76 169.2 11.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.83 -60.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.38 166.17 12.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 134.0 17.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.417 1.746 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.58 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 3.5 mt -45.34 -29.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.51 -156.79 24.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -148.52 159.23 44.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 0.752 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.955 HD12 HD12 ' A' ' 48' ' ' LEU . 42.7 mt -123.86 123.09 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.622 ' CE1' ' CB ' ' A' ' 66' ' ' ARG . 3.9 t-80 -63.17 123.35 18.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.558 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 48' ' ' LEU . 80.9 mt -109.99 -14.85 14.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.622 ' CB ' ' CE1' ' A' ' 64' ' ' HIS . 9.7 ttt180 -37.54 -66.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -119.46 49.54 0.87 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.428 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 19.8 p -90.46 166.95 12.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.5 t -123.35 152.3 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.03 HG11 HG23 ' A' ' 112' ' ' ILE . 32.0 t -119.24 138.08 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -157.9 157.91 34.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.86 146.31 28.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.001 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.861 HG13 ' HA ' ' A' ' 88' ' ' PHE . 14.2 m -81.01 -156.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -117.21 -61.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.3 t 54.21 -174.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.977 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 53.54 -171.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 m 54.02 93.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -167.02 -50.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.47 69.24 1.0 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.41 169.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 0.725 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.85 175.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.43 99.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -84.26 -59.23 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -140.97 124.72 16.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.18 -167.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -75.78 111.02 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.655 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -118.31 173.53 6.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.861 ' HA ' HG13 ' A' ' 73' ' ' VAL . 23.8 p90 -157.51 147.53 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.484 ' OE1' HD11 ' A' ' 91' ' ' ILE . 12.3 tt0 -100.06 138.67 36.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.818 ' CD1' HD13 ' A' ' 115' ' ' ILE . 98.2 mt -131.16 104.37 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.484 HD11 ' OE1' ' A' ' 89' ' ' GLU . 3.0 mt -81.16 141.31 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.624 HG21 HG23 ' A' ' 63' ' ' ILE . 72.6 p -106.97 174.67 5.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.403 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.25 -17.96 23.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.857 ' HB3' HG23 ' A' ' 96' ' ' VAL . 11.9 t70 -93.97 -1.53 54.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.496 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 79.28 3.08 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.857 HG23 ' HB3' ' A' ' 94' ' ' ASP . 40.2 t -63.94 127.85 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.496 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.7 m-70 -100.37 133.3 44.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.576 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -125.94 124.47 40.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 111.054 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -104.38 107.79 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.608 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -110.9 145.07 38.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.541 ' HB2' HD22 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -106.25 126.93 52.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.26 148.71 21.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -58.75 5.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.41 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 31.3 p -102.37 162.27 20.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.398 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.5 Cg_endo -75.01 -5.75 17.18 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.445 1.76 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -93.38 -30.48 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.42 ' OE1' ' CE ' ' A' ' 20' ' ' LYS . 3.4 tp10 -67.18 -56.12 11.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.884 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -38.5 -43.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -72.13 -49.04 39.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.361 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.513 ' HB3' ' HZ1' ' A' ' 20' ' ' LYS . 6.7 mt-10 -53.05 -57.3 10.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.651 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 1.5 m95 -42.65 -59.55 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 108.009 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.03 HG23 HG11 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -40.88 -64.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.497 ' N ' HG22 ' A' ' 112' ' ' ILE . 12.8 mttt -55.34 -33.19 63.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -61.53 -54.25 45.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.818 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.7 mt -61.98 -47.07 94.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.915 ' HG2' HG21 ' A' ' 70' ' ' VAL . 3.2 mt-30 -53.91 -49.32 68.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.438 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.6 OUTLIER -50.6 -49.14 57.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.438 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -68.25 -57.38 6.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 82.2 p -49.38 -34.04 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -62.94 -29.41 70.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.697 HG22 ' HB2' ' A' ' 46' ' ' ALA . 69.5 p 40.76 -161.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.21 -30.95 39.85 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? 78.72 -72.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.757 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.55 -70.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 178.92 -168.41 39.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 146.63 32.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.73 160.38 15.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 77.3 p -101.23 -16.98 16.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.05 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.5 m 60.47 154.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 m 64.98 127.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.88 -120.21 1.79 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.61 122.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 0.743 . . . . 0.0 110.025 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 m -104.91 163.8 12.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.73 -55.15 0.34 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -140.26 172.65 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.491 HD13 ' HA ' ' A' ' 9' ' ' ILE . 4.1 mm -50.22 155.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.754 HD13 ' N ' ' A' ' 11' ' ' LYS . 1.1 tm? -107.9 126.25 52.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.754 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -70.24 112.81 6.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.08 -38.35 17.31 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -31.22 69.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.346 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CZ ' ' HE3' ' A' ' 11' ' ' LYS . 5.3 m-30 -79.35 -17.3 54.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.423 ' HD3' HD12 ' A' ' 10' ' ' LEU . 16.5 mmm180 -50.38 -44.53 54.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 15' ' ' ARG . . . -58.27 -153.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -135.9 169.8 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.74 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 19' ' ' ILE . 22.4 mt -95.49 168.33 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.548 ' N ' HG22 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -140.88 -44.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HG2' ' CZ2' ' A' ' 111' ' ' TRP . 36.0 tttt -137.74 149.45 46.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.554 ' HG2' HG23 ' A' ' 40' ' ' ILE . 40.5 mt-30 -153.07 160.09 42.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.248 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.68 -162.63 30.07 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.7 m -114.17 144.04 43.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.572 ' C ' HD22 ' A' ' 25' ' ' LEU . 56.8 mt -139.27 167.31 22.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.821 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -107.41 99.2 8.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -88.5 128.39 35.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.38 134.49 33.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.32 -64.86 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.45 -176.82 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.787 . . . . 0.0 109.555 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.59 -43.61 4.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 154.39 27.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.01 173.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -81.96 -173.19 4.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -67.86 171.99 5.96 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -123.43 157.65 32.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.481 HG22 HD11 ' A' ' 25' ' ' LEU . 3.4 t -104.0 130.1 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -145.5 152.31 39.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -83.88 139.9 32.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.565 ' CD1' HD11 ' A' ' 48' ' ' LEU . 11.8 m-85 -132.08 127.32 35.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.807 HD12 ' CE1' ' A' ' 51' ' ' TYR . 62.0 mt -121.36 129.52 75.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 tp -108.18 135.0 50.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -134.56 128.8 33.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.477 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -104.24 138.79 40.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.517 ' N ' ' C ' ' A' ' 45' ' ' PRO . 2.0 t70 55.2 76.28 0.52 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.517 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.0 170.45 71.83 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.005 -0.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.53 ' HB2' HG22 ' A' ' 121' ' ' THR . . . -98.87 96.33 7.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.698 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 11.4 m-85 -144.47 153.3 41.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.976 HD12 HD12 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -124.57 111.52 15.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.876 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 76.2 m80 -105.57 143.93 33.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.595 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.489 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 6.2 p90 -129.67 133.46 47.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.807 ' CE1' HD12 ' A' ' 40' ' ' ILE . 11.4 m-85 -119.64 161.17 21.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.447 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 14.3 t70 -71.92 137.84 82.38 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -48.07 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.447 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -48.51 -27.45 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.85 149.38 5.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . . . -179.01 -171.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -130.61 -67.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.41 158.94 54.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.2 22.68 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.454 1.765 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 2.2 mt -60.0 -16.17 28.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 162.56 -157.17 29.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.538 1.149 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.876 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -161.55 149.52 15.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.976 HD12 HD12 ' A' ' 48' ' ' LEU . 17.3 mt -113.09 116.87 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.698 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 3.5 t-160 -63.49 135.11 56.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.571 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.8 mt -122.25 8.65 9.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.464 ' HD3' ' CE1' ' A' ' 64' ' ' HIS . 23.1 ptt180 -46.53 -25.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 66' ' ' ARG . . . -169.17 37.16 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.4 p -72.26 169.19 16.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.8 t -121.13 147.28 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.943 HG11 HG23 ' A' ' 112' ' ' ILE . 25.6 t -117.61 139.17 45.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.02 167.27 30.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.429 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.54 149.75 28.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.772 HG13 ' HA ' ' A' ' 88' ' ' PHE . 35.7 m -76.55 174.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 74' ' ' GLU . 1.0 OUTLIER -110.62 36.37 3.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.5 t -39.18 148.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -86.12 -66.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.8 100.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 178.96 108.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 101.92 167.2 27.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -61.16 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -47.66 100.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 77.7 p -85.56 101.82 13.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.979 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -64.32 -66.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.704 ' HB3' HD11 ' A' ' 87' ' ' LEU . 20.7 mt-10 -138.43 123.84 19.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -66.74 -147.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -82.15 111.16 18.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.704 HD11 ' HB3' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -130.48 176.17 8.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.772 ' HA ' HG13 ' A' ' 73' ' ' VAL . 16.5 p90 -161.21 146.82 14.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -99.83 128.78 45.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.599 ' CD1' HD13 ' A' ' 115' ' ' ILE . 87.1 mt -121.37 104.41 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.5 mt -81.05 142.86 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.485 HG21 HG23 ' A' ' 63' ' ' ILE . 82.2 p -105.07 177.81 4.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.29 -15.85 58.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.88 ' HB3' HG23 ' A' ' 96' ' ' VAL . 12.3 t0 -96.57 -1.38 47.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.583 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.3 mt-10 83.11 -2.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.88 HG23 ' HB3' ' A' ' 94' ' ' ASP . 46.7 t -59.97 131.37 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 7.4 m-70 -104.54 147.75 27.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.442 ' CE2' HG12 ' A' ' 96' ' ' VAL . 56.9 m-85 -143.06 123.37 13.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -102.13 107.9 19.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.9 OUTLIER -110.33 132.41 54.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.635 ' HG3' HD23 ' A' ' 87' ' ' LEU . 1.8 tt0 -97.08 135.8 38.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.557 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -103.67 154.48 19.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.18 -57.68 5.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.413 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 26.7 p -101.08 162.48 20.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.362 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -74.96 -6.32 17.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.5 -36.02 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.557 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 0.6 OUTLIER -61.79 -46.96 87.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.34 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.717 ' O ' HD12 ' A' ' 112' ' ' ILE . 6.4 tmm_? -50.13 -43.89 52.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.25 -51.25 32.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.0 mt-10 -50.97 -58.52 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.717 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 11.8 m95 -41.71 -58.63 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 107.998 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.943 HG23 HG11 ' A' ' 70' ' ' VAL . 1.6 mt -43.41 -67.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.491 ' N ' HG22 ' A' ' 112' ' ' ILE . 7.7 mtmt -54.5 -23.75 17.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -73.17 -58.65 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.599 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.0 mt -55.35 -38.86 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.671 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.4 mt-30 -61.21 -57.13 13.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.49 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -40.73 -42.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -76.05 -48.97 18.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.868 ' O ' HG23 ' A' ' 121' ' ' THR . 52.4 p -50.15 -38.83 41.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 116' ' ' GLN . 0.3 OUTLIER -59.33 -15.13 14.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.868 HG23 ' O ' ' A' ' 119' ' ' SER . 51.0 p 38.3 -156.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.447 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -135.57 25.63 3.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -129.34 85.54 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.6 p -165.5 137.8 4.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 68.05 153.29 0.43 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -56.82 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.54 1.811 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.4 m -59.4 95.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.9 t -153.01 131.73 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.24 -59.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.76 . . . . 0.0 109.992 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t 63.19 161.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.54 -111.86 0.5 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 t 60.19 103.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -125.21 -63.87 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.25 -65.31 2.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.26 156.47 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.434 HD13 ' HA ' ' A' ' 9' ' ' ILE . 3.0 mm -52.21 155.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.826 HD12 ' HG2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -83.89 123.49 29.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -73.76 155.85 38.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.439 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 5.0 mt-10 -78.89 -11.63 60.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -98.58 -6.47 29.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.437 ' HA ' ' NH1' ' A' ' 42' ' ' ARG . 13.7 m-30 -107.56 -36.74 6.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.826 ' HG2' HD12 ' A' ' 10' ' ' LEU . 5.8 mtm-85 -36.63 -34.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 14' ' ' PHE . . . -60.25 -157.19 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -132.59 169.37 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 23.7 mt -99.48 165.69 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.49 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -132.1 -43.56 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -146.52 149.55 33.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.497 ' HG2' HG23 ' A' ' 40' ' ' ILE . 32.5 mt-30 -149.81 160.48 43.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.47 -171.9 34.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 92.6 m -106.66 147.15 29.89 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.555 ' C ' HD22 ' A' ' 25' ' ' LEU . 60.4 mt -141.94 170.63 15.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.861 ' CD1' HG22 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -108.91 99.47 8.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 8.1 tttt -82.01 114.44 20.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.519 ' HG3' ' CD2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -115.59 156.61 25.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.18 77.26 1.26 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -178.1 -57.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 0.742 . . . . 0.0 109.561 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.33 -22.69 14.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 50.32 80.36 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.9 73.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 m120 65.1 130.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.519 ' CD2' ' HG3' ' A' ' 27' ' ' GLN . 50.2 m95 -44.15 147.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -125.52 123.49 39.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.861 HG22 ' CD1' ' A' ' 25' ' ' LEU . 36.9 t -67.73 142.43 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -156.75 150.57 24.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.311 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 13.2 tttt -85.64 138.99 31.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.563 ' CD2' HD11 ' A' ' 48' ' ' LEU . 8.3 m-85 -131.83 118.7 20.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.833 HD12 ' CE1' ' A' ' 51' ' ' TYR . 81.6 mt -112.95 129.88 67.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.9 tp -107.73 137.58 45.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.437 ' NH1' ' HA ' ' A' ' 14' ' ' PHE . 36.9 mtp180 -140.39 126.11 19.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.486 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -104.22 140.86 37.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.53 ' N ' ' C ' ' A' ' 45' ' ' PRO . 2.1 t70 54.95 75.74 0.58 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.53 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.96 169.46 74.48 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.001 -0.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.48 ' HB1' ' HB2' ' A' ' 65' ' ' LEU . . . -98.1 97.8 9.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.426 ' N ' HD12 ' A' ' 65' ' ' LEU . 10.6 m-85 -147.77 147.86 30.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.991 ' CD1' HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -118.46 113.89 22.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -107.62 132.95 52.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.607 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.416 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 19.6 p90 -124.02 127.85 48.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.833 ' CE1' HD12 ' A' ' 40' ' ' ILE . 9.2 m-85 -114.93 169.59 8.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 10.6 t70 -75.73 141.87 72.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.4 ' HG3' HG12 ' A' ' 36' ' ' VAL . 18.5 Cg_endo -74.94 -46.59 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.782 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.407 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -47.64 -36.89 11.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.6 146.27 4.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -175.31 178.59 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.357 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -119.04 -59.56 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.72 158.95 34.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.523 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.03 133.53 16.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.561 1.821 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.74 -35.76 56.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -172.73 -170.01 35.98 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.483 1.114 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.74 164.68 29.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.357 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.991 HD12 ' CD1' ' A' ' 48' ' ' LEU . 37.5 mt -130.74 106.11 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.408 ' NE2' ' HB2' ' A' ' 66' ' ' ARG . 5.0 t-160 -54.81 130.97 42.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.606 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.48 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 23.3 mt -113.83 8.5 17.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.408 ' HB2' ' NE2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -53.48 -61.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.247 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.29 30.72 3.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 20.8 p -64.31 177.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.6 t -140.45 142.83 30.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.062 HG11 HG23 ' A' ' 112' ' ' ILE . 37.9 t -113.06 137.71 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 72' ' ' SER . 0.6 OUTLIER -149.93 174.6 12.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.373 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.432 ' N ' HG23 ' A' ' 71' ' ' THR . 0.1 OUTLIER -119.52 134.4 55.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.762 HG13 ' HA ' ' A' ' 88' ' ' PHE . 33.8 m -65.66 178.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -111.58 32.68 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.404 ' H ' HG23 ' A' ' 73' ' ' VAL . 1.6 m -67.17 158.64 30.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.22 160.63 18.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 m -145.55 158.65 43.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.6 t30 170.89 -55.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.71 51.69 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 177.47 -57.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -95.97 23.7 6.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 84' ' ' GLU . 0.4 OUTLIER -47.0 -63.13 1.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 68.3 -61.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.731 ' HB3' HD11 ' A' ' 87' ' ' LEU . 7.9 mt-10 -132.25 117.62 18.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.474 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 1.2 mt-10 -56.31 -166.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -71.63 110.05 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.731 HD11 ' HB3' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -125.7 178.02 5.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.762 ' HA ' HG13 ' A' ' 73' ' ' VAL . 14.8 p90 -159.71 149.27 18.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -101.87 127.62 48.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 88.8 mt -119.7 108.88 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 2.7 mt -85.38 141.07 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.692 HG22 HG23 ' A' ' 63' ' ' ILE . 32.3 p -102.74 -173.57 2.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.41 -16.71 62.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 1.3 m-20 -95.2 -1.5 51.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.8 mt-10 83.22 -1.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.432 HG23 ' CB ' ' A' ' 94' ' ' ASP . 33.3 t -58.45 133.53 23.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 9.4 m-70 -107.98 141.13 40.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.64 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -136.51 133.66 36.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -111.56 107.56 16.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.498 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -110.34 134.06 52.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.496 ' HB3' HD23 ' A' ' 25' ' ' LEU . 1.2 tt0 -96.2 131.06 43.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.83 145.06 25.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.62 -55.83 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 1.8 p -104.21 164.52 15.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -74.98 -19.58 17.76 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.464 1.771 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -79.43 -41.4 27.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.0 -54.87 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.677 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.7 OUTLIER -41.28 -43.96 2.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -72.45 -42.36 65.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.2 mt-10 -59.93 -59.5 5.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.775 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 3.2 m95 -41.84 -58.45 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.062 HG23 HG11 ' A' ' 70' ' ' VAL . 2.3 mt -42.89 -67.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -54.67 -24.38 21.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -69.24 -60.77 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.3 -36.25 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.796 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.5 mt-30 -63.47 -52.03 63.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.49 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -46.86 -41.51 15.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -74.53 -62.13 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 98.6 p -48.07 -29.6 3.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 116' ' ' GLN . 17.1 mmt85 -59.24 -31.03 68.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.2 p 44.44 -167.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -130.64 30.29 3.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt 61.71 150.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 109.344 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.12 136.42 42.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -133.57 -145.46 5.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 69.7 5.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.561 1.821 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.9 m -147.91 109.63 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 15.3 m -126.89 88.87 2.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -130.79 -58.89 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.763 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.44 -57.76 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.57 -144.75 36.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -174.51 132.57 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 109.97 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.5 p -146.51 170.23 17.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.59 71.0 0.61 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.499 HG22 ' H ' ' A' ' 9' ' ' ILE . 11.0 p -137.13 170.35 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.648 ' H ' HD12 ' A' ' 9' ' ' ILE . 3.1 mp -66.85 171.89 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 11' ' ' LYS . 2.4 tm? -129.14 112.01 13.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.645 ' O ' HD13 ' A' ' 10' ' ' LEU . 6.4 mttt -52.87 -174.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.458 ' HA ' ' HG2' ' A' ' 15' ' ' ARG . 1.6 mm-40 -101.81 -33.31 9.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.568 ' HG2' ' CD2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -74.81 -22.66 58.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CD2' ' HG2' ' A' ' 13' ' ' GLU . 97.9 m-85 -106.14 25.75 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.458 ' HG2' ' HA ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -113.8 -18.5 11.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.88 -153.78 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.43 HG22 ' H ' ' A' ' 18' ' ' ILE . 9.2 p -125.28 167.84 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.77 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 19' ' ' ILE . 34.9 mt -106.57 166.91 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.513 ' N ' HG22 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -135.64 -43.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -140.84 151.5 44.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.588 ' HG2' HG23 ' A' ' 40' ' ' ILE . 45.2 mt-30 -150.32 155.86 40.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.97 -168.7 34.55 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.438 1.086 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.2 p -119.79 137.15 54.14 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.567 HD11 ' CE2' ' A' ' 111' ' ' TRP . 70.0 mt -126.63 176.26 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.847 ' CD1' HG22 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -109.52 99.28 8.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HA ' ' CD1' ' A' ' 100' ' ' LEU . 7.0 tttm -83.25 125.59 31.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.4 ' NE2' ' CZ2' ' A' ' 34' ' ' TRP . 4.4 mt-30 -88.8 148.86 23.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.04 -143.32 14.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -112.39 -36.41 5.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.581 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -64.86 -34.85 79.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 54.34 98.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.79 -56.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -144.86 127.3 15.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.4 ' CZ2' ' NE2' ' A' ' 27' ' ' GLN . 55.1 m95 -57.24 143.31 39.87 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.25 132.37 54.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.847 HG22 ' CD1' ' A' ' 25' ' ' LEU . 38.7 t -75.06 145.58 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -157.96 150.23 22.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -82.31 143.17 31.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.515 ' CD1' HD11 ' A' ' 48' ' ' LEU . 8.2 m-85 -141.04 118.86 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.75 ' O ' HD22 ' A' ' 48' ' ' LEU . 74.7 mt -116.24 131.76 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.412 HD21 ' O ' ' A' ' 114' ' ' ALA . 32.5 tp -107.96 137.9 45.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' NH1' ' ND1' ' A' ' 49' ' ' HIS . 16.3 mtt85 -138.73 124.25 19.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.239 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -102.89 136.27 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.521 ' N ' ' C ' ' A' ' 45' ' ' PRO . 13.4 t0 58.28 76.29 0.47 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.521 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.1 Cg_endo -75.03 170.48 71.73 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.978 0.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.578 ' HB1' ' HB2' ' A' ' 65' ' ' LEU . . . -98.11 95.96 7.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.497 ' N ' HD12 ' A' ' 65' ' ' LEU . 9.2 m-85 -145.69 144.16 30.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.933 HD12 HD12 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -116.81 112.51 21.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 77.6 m80 -105.88 138.04 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.595 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 24.7 p90 -129.13 123.5 32.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.728 ' CE1' HD12 ' A' ' 40' ' ' ILE . 27.2 m-85 -107.03 169.07 8.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.601 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 20.9 t70 -75.28 142.67 75.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -47.49 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.601 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -46.5 -32.02 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 136.36 149.83 5.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 179.91 -169.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -129.96 -57.36 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.1 p-10 -90.24 155.51 46.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 151.12 38.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.503 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 1.5 mt -72.03 -9.59 58.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 155.68 -174.48 33.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.581 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -139.4 146.86 40.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.933 HD12 HD12 ' A' ' 48' ' ' LEU . 9.4 mt -112.64 110.63 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 6.8 t-160 -54.65 135.46 46.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.574 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.578 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 37.4 mt -117.06 13.66 14.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -55.43 -63.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.29 39.41 1.9 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 31.4 p -74.22 174.8 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.3 t -135.35 148.33 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.362 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.893 HG11 HG23 ' A' ' 112' ' ' ILE . 25.4 t -115.33 140.1 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.493 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.2 t -158.85 175.54 13.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.431 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.53 160.53 20.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.501 HG13 ' CA ' ' A' ' 88' ' ' PHE . 20.2 m -80.53 -161.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -120.86 -41.86 2.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 t 39.81 76.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.948 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.07 101.65 11.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.0 p -168.51 141.19 2.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -79.43 143.36 35.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.59 77.1 0.2 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.541 1.15 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -134.24 -64.91 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 110.276 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.34 163.43 12.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.86 136.21 33.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -150.41 -58.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -143.82 126.44 16.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -77.45 -146.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.508 ' ND2' ' CA ' ' A' ' 105' ' ' PRO . 68.4 m-20 -83.35 126.66 32.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.483 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -134.01 178.68 6.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 15.6 p90 -165.32 145.39 6.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.595 ' OE2' ' CZ ' ' A' ' 99' ' ' PHE . 16.4 tt0 -99.83 136.72 39.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.682 ' CD1' HD13 ' A' ' 115' ' ' ILE . 87.9 mt -127.84 110.65 22.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.405 HG12 ' ND1' ' A' ' 97' ' ' HIS . 2.8 mt -88.48 143.23 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.486 HG21 HG23 ' A' ' 63' ' ' ILE . 32.7 p -107.13 -179.06 3.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 110.358 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -14.86 61.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.748 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -95.94 -2.18 47.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.561 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 6.3 mt-10 80.1 2.26 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.748 HG23 ' HB3' ' A' ' 94' ' ' ASP . 42.1 t -64.76 132.11 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.561 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.6 m-70 -104.88 143.56 32.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.577 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -138.82 123.97 19.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.595 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 59.2 m-85 -100.43 107.65 19.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -112.78 131.58 55.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.532 ' HB3' HD23 ' A' ' 25' ' ' LEU . 4.9 tt0 -93.79 133.54 37.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.356 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.615 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -101.28 131.24 47.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.69 -66.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.4 p -101.67 166.75 11.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.44 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.508 ' CA ' ' ND2' ' A' ' 86' ' ' ASN . 18.4 Cg_endo -75.02 -8.85 20.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -43.46 14.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.615 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -60.28 -45.86 91.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.618 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -48.32 -42.57 31.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -73.99 -40.94 62.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 114' ' ' ALA . 12.0 mt-10 -60.99 -54.84 39.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.652 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 13.0 m95 -45.51 -61.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 108.001 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.893 HG23 HG11 ' A' ' 70' ' ' VAL . 2.2 mt -40.75 -65.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.467 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -53.39 -32.69 50.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -64.55 -53.81 42.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.682 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.8 mt -60.51 -44.53 96.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.671 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.0 mt-30 -57.61 -48.07 80.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -52.13 -46.1 65.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.45 -64.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.5 p -43.81 -36.98 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -69.35 -46.86 66.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 122' ' ' GLY . 0.0 OUTLIER 39.53 91.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 121' ' ' THR . . . -37.61 -44.35 1.28 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.99 -76.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 0.715 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.4 m -68.87 134.88 50.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -174.47 177.16 46.72 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.59 36.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.05 137.83 51.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 13.7 t -158.07 90.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.95 -60.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 110.048 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.55 121.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.78 -142.19 0.81 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 p -107.8 137.15 46.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.99 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -145.94 134.19 21.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.47 128.37 4.47 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.545 1.153 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.521 HG22 ' H ' ' A' ' 9' ' ' ILE . 7.3 p -142.81 170.51 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.521 ' H ' HG22 ' A' ' 8' ' ' VAL . 3.7 mm -42.44 153.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -109.94 94.62 5.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 18.5 mttt -61.62 -171.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -94.2 -43.56 8.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.564 ' HG3' ' CE1' ' A' ' 14' ' ' PHE . 1.9 pt-20 -60.96 -14.15 20.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CD1' ' NH1' ' A' ' 42' ' ' ARG . 17.6 m-30 -104.84 9.55 34.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -77.81 54.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.359 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.54 -177.33 36.32 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.4 p -110.33 168.29 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.498 HG21 ' CD ' ' A' ' 21' ' ' GLN . 16.9 mt -97.72 157.36 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.638 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -121.01 -40.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -152.81 137.69 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.498 ' CD ' HG21 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -159.44 158.2 31.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.85 -140.0 5.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 68.4 m -116.87 136.58 52.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.533 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 15.5 mt -138.97 152.6 47.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.781 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -97.39 99.79 11.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -83.77 113.89 21.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.477 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -103.43 113.7 27.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -150.48 173.87 29.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -45.73 -56.46 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 0.0 109.58 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.34 -32.91 57.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.348 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.28 96.75 8.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -45.49 72.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.3 164.04 27.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.477 ' CE2' ' HG3' ' A' ' 27' ' ' GLN . 94.2 m95 -48.49 126.69 11.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.046 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.35 120.88 27.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.761 HG22 HD11 ' A' ' 25' ' ' LEU . 34.9 t -57.2 136.02 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.72 151.64 31.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.611 ' HE2' HD11 ' A' ' 40' ' ' ILE . 7.4 tttt -86.72 131.0 34.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CD2' HD11 ' A' ' 48' ' ' LEU . 11.6 m-85 -128.53 118.92 23.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.955 HD12 ' CE1' ' A' ' 51' ' ' TYR . 20.5 mt -112.75 128.91 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.532 ' CD1' ' CD1' ' A' ' 65' ' ' LEU . 17.7 tp -108.47 138.7 44.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.57 ' NH1' ' CD1' ' A' ' 14' ' ' PHE . 6.9 ptp180 -142.11 126.68 17.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.638 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -100.23 140.45 34.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.502 ' N ' ' C ' ' A' ' 45' ' ' PRO . 14.9 t0 58.39 76.86 0.43 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.502 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.04 165.54 85.65 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.12 99.59 12.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -149.19 162.92 39.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.012 ' CD1' HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -130.75 110.47 11.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -102.48 125.89 49.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.475 ' HB3' ' CD2' ' A' ' 39' ' ' PHE . 25.3 p90 -120.58 128.12 52.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.955 ' CE1' HD12 ' A' ' 40' ' ' ILE . 7.1 m-85 -115.04 169.67 8.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.675 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 22.4 t70 -80.43 143.33 55.41 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -41.85 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.675 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -52.67 -34.32 51.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.462 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 145.01 152.03 5.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 177.56 165.22 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -110.65 -57.3 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -90.92 156.26 44.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.553 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -75.02 128.56 11.56 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.466 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 3.7 mt -42.21 -30.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.14 -166.85 40.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -134.88 150.22 50.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.012 HD12 ' CD1' ' A' ' 48' ' ' LEU . 89.2 mt -118.53 108.3 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CE1' ' HB3' ' A' ' 66' ' ' ARG . 2.9 t-80 -51.94 124.81 13.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.62 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.539 HD22 HG23 ' A' ' 115' ' ' ILE . 99.2 mt -110.71 -23.36 11.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.585 ' HB3' ' CE1' ' A' ' 64' ' ' HIS . 1.0 OUTLIER -39.23 -61.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -117.5 52.78 0.67 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 21.1 p -98.46 174.65 6.35 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -137.7 141.8 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.07 HG11 HG23 ' A' ' 112' ' ' ILE . 39.7 t -108.63 137.18 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -158.48 164.01 36.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.92 137.41 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.017 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 87' ' ' LEU . 24.9 m -65.66 -167.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -102.81 -60.0 1.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.9 p 44.54 73.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.034 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -156.17 160.15 39.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.97 -53.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -143.01 125.38 15.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.39 62.45 0.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.06 -61.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -58.79 166.91 1.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 84' ' ' GLU . 4.6 t -113.89 -58.87 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 65.99 -72.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.768 ' HB2' HD11 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -136.96 139.66 41.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.247 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -67.8 -142.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -82.36 110.1 17.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.768 HD11 ' HB2' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -119.72 163.42 17.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 25.1 p90 -149.54 147.77 28.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.517 ' OE2' ' CZ ' ' A' ' 99' ' ' PHE . 20.5 tt0 -103.15 134.12 47.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.664 ' CD1' HD13 ' A' ' 115' ' ' ILE . 74.8 mt -126.23 112.32 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.4 mt -89.73 144.4 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.662 HG21 HG23 ' A' ' 63' ' ' ILE . 29.8 p -105.98 -178.19 3.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.39 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.57 -9.75 51.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.826 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -101.74 -1.65 31.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.607 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.9 mt-10 81.55 1.91 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.826 HG23 ' HB3' ' A' ' 94' ' ' ASP . 37.3 t -62.34 132.06 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 10.8 m-70 -104.91 145.88 29.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.623 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -141.07 129.54 22.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.517 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 78.2 m-85 -106.98 106.52 17.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 0.7 OUTLIER -113.28 130.21 56.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.557 ' HG3' HD23 ' A' ' 87' ' ' LEU . 3.1 tt0 -94.04 131.53 39.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.663 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -100.06 123.84 44.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.9 -63.83 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 3.0 p -95.25 164.1 20.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.1 Cg_endo -75.02 -15.06 20.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -84.84 -37.51 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.663 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -60.1 -41.37 92.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.248 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.854 ' O ' HD12 ' A' ' 112' ' ' ILE . 6.9 tmm_? -56.64 -42.99 79.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -72.78 -41.01 65.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.5 mt-10 -60.84 -55.07 37.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.673 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 10.3 m95 -47.23 -59.78 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.07 HG23 HG11 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -41.9 -63.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.459 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -56.08 -31.71 63.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -62.87 -52.22 63.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.664 HD13 ' CD1' ' A' ' 90' ' ' ILE . 2.5 mp -62.39 -46.41 96.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.767 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.2 mt-30 -54.89 -49.72 70.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.444 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.4 OUTLIER -49.38 -48.55 46.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -70.6 -63.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 83.5 p -45.19 -32.48 1.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -61.58 -44.43 97.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.8 t -38.96 151.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -63.97 -68.34 1.7 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.35 81.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.3 p -107.32 135.51 48.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -84.79 158.78 33.87 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.451 1.094 . . . . 0.0 111.054 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.99 6.53 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.8 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.85 -58.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.31 107.98 20.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.65 -58.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.979 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 4' ' ' GLY . 37.7 m -144.79 -58.07 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -37.7 119.36 0.71 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -146.18 169.34 18.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.793 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 m -61.88 159.19 14.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.85 -152.47 13.11 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.8 t -111.01 156.44 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.48 ' HA ' HD13 ' A' ' 9' ' ' ILE . 4.0 mm -51.45 150.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.704 HD13 ' O ' ' A' ' 11' ' ' LYS . 3.1 tm? -132.62 117.72 18.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.377 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.704 ' O ' HD13 ' A' ' 10' ' ' LEU . 10.6 mtmt -50.08 177.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.404 ' HA ' ' HG2' ' A' ' 15' ' ' ARG . 1.0 OUTLIER -102.18 -17.88 15.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 110.302 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.556 ' HG2' ' CD2' ' A' ' 14' ' ' PHE . 3.6 pm0 -89.13 -10.07 48.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.556 ' CD2' ' HG2' ' A' ' 13' ' ' GLU . 67.6 m-85 -126.1 44.27 2.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 111.043 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.556 ' HB3' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -124.28 2.08 8.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.48 -148.49 22.0 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.547 HG22 ' H ' ' A' ' 18' ' ' ILE . 6.5 p -143.27 171.9 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.547 ' H ' HG22 ' A' ' 17' ' ' VAL . 23.0 mm -97.59 155.47 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.476 HG13 HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -124.71 -42.34 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.419 ' NZ ' ' OE1' ' A' ' 107' ' ' GLU . 10.6 tttt -151.13 142.59 23.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.437 ' NE2' HG21 ' A' ' 18' ' ' ILE . 35.5 mt-30 -142.35 141.43 32.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.086 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.42 -173.33 44.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.9 p -107.92 129.97 55.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 24' ' ' LEU . 10.4 mt -123.12 157.04 33.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.837 HD11 HG22 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -100.23 100.91 11.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.49 ' HG3' HD11 ' A' ' 100' ' ' LEU . 2.1 ttmt -88.15 116.48 26.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.56 176.0 3.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.06 70.08 1.16 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.82 -173.64 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.587 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' CD ' ' HB2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -87.46 -26.12 23.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' HB2' ' CD ' ' A' ' 30' ' ' ARG . 0.1 OUTLIER 175.23 -164.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 56.6 170.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -53.45 -174.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.463 ' CH2' HD22 ' A' ' 87' ' ' LEU . 11.5 m0 -65.71 168.48 7.67 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.31 121.49 42.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.837 HG22 HD11 ' A' ' 25' ' ' LEU . 33.5 t -63.07 138.52 22.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -148.41 138.69 22.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -80.65 124.04 28.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.644 ' CD2' HD11 ' A' ' 48' ' ' LEU . 6.9 m-85 -117.0 116.5 27.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.823 HD12 ' CE1' ' A' ' 51' ' ' TYR . 84.0 mt -108.53 127.75 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.476 HD23 HG13 ' A' ' 19' ' ' ILE . 19.1 tp -107.96 139.61 42.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -139.25 130.51 26.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' HG2' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -103.25 138.9 39.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.264 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.474 ' N ' ' C ' ' A' ' 45' ' ' PRO . 6.1 t70 54.96 77.99 0.41 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.474 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.99 172.07 64.9 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.057 -0.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.55 95.6 6.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.511 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 8.0 m-85 -142.24 168.39 19.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.058 HD12 HD12 ' A' ' 63' ' ' ILE . 1.3 tm? -133.02 110.26 10.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.458 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 34.7 m80 -106.6 116.03 31.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.602 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 31.3 p90 -106.16 119.97 40.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.823 ' CE1' HD12 ' A' ' 40' ' ' ILE . 13.1 m-85 -109.55 153.84 23.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.495 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -66.83 130.27 93.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -5.1 16.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 111.056 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.495 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -96.52 -4.09 42.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.578 ' O ' ' HB3' ' A' ' 56' ' ' ALA . . . 139.46 -124.19 2.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 55' ' ' GLY . . . 76.83 -58.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.789 . . . . 0.0 109.355 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 9.4 tt0 84.39 -55.84 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -75.66 152.76 85.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.474 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.03 115.1 4.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 2.9 mt -45.21 -34.18 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -172.15 -155.07 10.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -157.19 156.9 33.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.058 HD12 HD12 ' A' ' 48' ' ' LEU . 23.1 mt -128.43 108.23 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.511 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 5.0 t-160 -53.02 133.76 38.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.5 mt -118.95 9.46 11.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -65.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -120.8 33.53 4.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.8 p -69.1 175.13 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.0 t -139.71 146.63 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.93 HG11 HG23 ' A' ' 112' ' ' ILE . 33.9 t -113.19 138.74 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.401 HG22 ' HB3' ' A' ' 89' ' ' GLU . 0.4 OUTLIER -157.45 159.78 37.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.33 162.78 12.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.632 HG21 ' HB2' ' A' ' 87' ' ' LEU . 33.3 m -106.99 -173.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -91.4 -52.29 4.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 p 40.27 80.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.48 132.2 9.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.6 t -121.83 -55.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -165.68 -57.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 153.98 -66.5 0.32 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -47.65 -56.67 6.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 110.293 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.65 154.82 20.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.35 95.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -77.54 -48.06 17.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.498 ' CB ' HD11 ' A' ' 87' ' ' LEU . 2.5 mp0 -138.11 126.08 22.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.25 169.79 16.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 53.04 56.0 8.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' A' ' 101' ' ' GLN . 17.0 mt -107.45 170.96 7.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.713 ' CE1' HD23 ' A' ' 100' ' ' LEU . 7.3 p90 -169.9 145.42 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 90' ' ' ILE . 2.6 tt0 -99.61 140.95 33.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.805 HD13 HD13 ' A' ' 115' ' ' ILE . 6.2 mt -129.31 104.02 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.2 mt -82.84 135.21 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.675 HG21 HG23 ' A' ' 63' ' ' ILE . 73.4 p -98.51 -169.62 1.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.05 -20.62 60.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.671 ' HB3' HG23 ' A' ' 96' ' ' VAL . 1.1 m-20 -92.56 1.24 57.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.59 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.9 mt-10 80.65 0.05 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.671 HG23 ' HB3' ' A' ' 94' ' ' ASP . 40.9 t -60.14 132.28 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 1.9 m-70 -106.34 139.83 40.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.639 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -133.04 121.12 22.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.408 ' C ' HD22 ' A' ' 100' ' ' LEU . 5.6 m-85 -102.09 106.84 17.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.798 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -107.18 170.14 8.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.658 ' HA ' HD23 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -123.8 124.07 41.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.72 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -93.44 120.76 34.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.67 -57.64 3.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.41 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 71.2 p -101.33 162.81 19.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.407 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -74.96 -14.68 21.16 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.79 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.77 -33.16 21.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.72 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 1.4 tp10 -61.42 -50.28 73.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.878 ' O ' HD12 ' A' ' 112' ' ' ILE . 4.2 ttm180 -48.32 -45.23 34.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 m -71.19 -44.64 65.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.427 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 114' ' ' ALA . 7.9 mt-10 -58.56 -59.73 4.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.673 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 2.8 m95 -43.89 -61.01 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 107.981 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.93 HG23 HG11 ' A' ' 70' ' ' VAL . 1.4 mt -40.29 -66.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.497 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -54.38 -32.68 57.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -62.36 -55.01 32.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.805 HD13 HD13 ' A' ' 90' ' ' ILE . 3.1 mt -60.41 -48.75 87.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.726 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.3 mt-30 -51.62 -49.27 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.436 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -52.03 -47.82 64.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.436 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -66.75 -56.84 8.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.6 p -54.42 -28.73 45.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' GLN . 38.4 mmt180 -86.47 13.24 8.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 120' ' ' ARG . 0.5 OUTLIER -37.24 -38.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.391 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 57.6 71.55 0.73 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.4 77.66 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.8 t -110.21 95.89 5.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.01 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -170.34 157.13 28.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 59.01 5.08 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.36 105.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.1 m 70.5 -62.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.48 98.51 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 110.032 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.82 168.17 18.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.054 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.81 -102.38 0.32 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.69 99.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 p -136.04 141.76 44.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.25 -76.4 0.05 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.561 HG22 ' H ' ' A' ' 9' ' ' ILE . 9.8 p -137.79 171.99 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.781 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.561 ' H ' HG22 ' A' ' 8' ' ' VAL . 3.6 mm -52.42 148.4 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -128.91 144.73 51.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.52 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . 14.9 mtmt -82.23 -167.63 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -100.94 -51.02 3.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 110.261 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.581 ' HG2' ' CD1' ' A' ' 14' ' ' PHE . 5.5 pm0 -55.34 -18.42 6.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.581 ' CD1' ' HG2' ' A' ' 13' ' ' GLU . 69.9 m-85 -90.07 -30.1 17.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' PHE . 15.2 mmm180 -38.46 -33.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.77 -163.13 7.04 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -126.49 170.56 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.247 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.444 HG21 ' OE1' ' A' ' 21' ' ' GLN . 24.3 mt -99.44 160.52 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.532 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -124.9 -40.87 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HE3' ' CD1' ' A' ' 111' ' ' TRP . 9.2 tttm -156.44 130.84 8.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' OE1' HG21 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -148.6 159.83 43.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.44 -160.71 34.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 37' ' ' ARG . 18.6 p -95.53 148.49 22.45 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 24' ' ' LEU . 12.5 mt -151.41 155.25 38.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.8 HD11 HG22 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -98.24 99.28 10.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -90.26 116.75 28.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.35 157.66 19.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -119.55 -115.99 2.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -146.45 -60.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.76 . . . . 0.0 109.554 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -67.95 -42.37 81.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.55 130.13 45.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -71.96 -75.36 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.58 -171.73 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.404 ' CD1' ' N ' ' A' ' 34' ' ' TRP . 5.3 m0 -97.65 174.27 6.72 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -137.28 116.28 12.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.8 HG22 HD11 ' A' ' 25' ' ' LEU . 39.6 t -59.5 140.9 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 39.6 mtt180 -157.79 167.39 30.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 2.3 tttp -99.08 143.41 29.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CD2' HD11 ' A' ' 48' ' ' LEU . 13.0 m-85 -136.65 114.12 10.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.831 HD12 ' CE1' ' A' ' 51' ' ' TYR . 28.0 mt -107.76 129.63 61.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.414 HD21 ' O ' ' A' ' 114' ' ' ALA . 20.8 tp -109.14 137.92 46.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.52 ' CZ ' ' ND1' ' A' ' 49' ' ' HIS . 12.4 ptp180 -141.79 125.42 16.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.532 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -100.32 143.52 30.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.526 ' N ' ' C ' ' A' ' 45' ' ' PRO . 5.4 t0 52.08 76.11 0.57 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.526 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -74.94 170.05 72.85 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.049 -0.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.38 98.82 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -145.54 157.24 44.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.008 HD12 HD12 ' A' ' 63' ' ' ILE . 1.4 tm? -127.07 111.32 13.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.52 ' ND1' ' CZ ' ' A' ' 42' ' ' ARG . 76.3 m80 -107.24 136.41 47.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.584 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 53.1 p90 -126.13 121.68 33.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.831 ' CE1' HD12 ' A' ' 40' ' ' ILE . 2.6 m-85 -117.27 160.72 20.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.462 ' HB3' ' HB2' ' A' ' 56' ' ' ALA . 2.5 t70 -58.91 141.84 85.39 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.26 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.556 1.819 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.445 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -43.06 -37.35 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 150.27 141.38 3.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.462 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . . . -168.26 -171.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -140.27 -63.65 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -78.7 152.47 77.78 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 131.57 14.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 5.2 mt -63.25 -27.85 69.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -168.45 -159.16 13.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -167.2 128.74 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.008 HD12 HD12 ' A' ' 48' ' ' LEU . 5.6 mt -104.43 123.23 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.519 ' CG ' ' HG2' ' A' ' 66' ' ' ARG . 5.9 t-160 -72.61 132.99 44.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 mt -120.19 23.79 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.519 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 16.3 ptt180 -65.31 -24.3 67.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.45 31.7 0.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.7 p -67.76 167.16 13.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 t -120.22 150.4 22.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.01 HG11 HG23 ' A' ' 112' ' ' ILE . 25.3 t -117.03 138.48 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -157.61 168.23 27.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.45 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.46 ' N ' HG23 ' A' ' 71' ' ' THR . 0.3 OUTLIER -111.1 147.78 34.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 87' ' ' LEU . 28.7 m -68.77 -170.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -99.16 -23.3 15.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 t -51.86 120.92 5.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.046 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -165.07 116.93 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.5 p -166.63 129.16 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.05 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -89.08 94.76 10.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 110.92 -134.89 12.46 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 65.15 164.47 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 0.797 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -179.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 p -95.62 114.73 26.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -141.85 -62.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -134.66 119.9 18.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -83.54 -146.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -81.05 119.09 23.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.627 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -127.25 162.93 25.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 37.1 p90 -152.42 143.26 22.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.483 ' OE1' HD11 ' A' ' 91' ' ' ILE . 3.9 tt0 -99.91 138.75 36.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.795 HD13 HD13 ' A' ' 115' ' ' ILE . 76.8 mt -129.63 105.3 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.483 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.7 mt -82.71 144.77 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.0 p -109.13 178.14 4.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.443 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.97 -14.71 50.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.874 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -95.08 -5.12 45.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 6.0 mt-10 83.35 -1.44 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.874 HG23 ' HB3' ' A' ' 94' ' ' ASP . 42.7 t -61.08 132.62 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 7.5 m-70 -104.72 142.69 34.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.581 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -137.62 120.41 16.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -100.69 109.18 21.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.646 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -113.9 133.53 55.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.533 ' HG3' HD23 ' A' ' 87' ' ' LEU . 3.5 tt0 -96.46 129.07 43.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.745 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -98.91 125.24 44.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -39.73 -64.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.7 p -95.67 164.54 18.61 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.402 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -11.74 21.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.552 1.817 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -88.32 -30.04 19.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.745 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 1.3 tt0 -67.44 -39.34 85.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.787 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.7 OUTLIER -59.05 -45.08 91.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -68.84 -50.6 48.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.7 mt-10 -51.33 -55.93 15.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.719 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 9.3 m95 -44.01 -61.0 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.01 HG23 HG11 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -40.69 -67.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.523 ' N ' HG22 ' A' ' 112' ' ' ILE . 25.0 mtmt -52.25 -32.51 37.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -62.06 -55.05 33.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.795 HD13 HD13 ' A' ' 90' ' ' ILE . 2.5 mt -61.24 -47.47 93.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.766 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.3 mt-30 -54.01 -49.21 69.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.453 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -50.9 -47.65 60.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.488 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.02 -57.68 4.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.402 ' O ' HG23 ' A' ' 121' ' ' THR . 56.7 p -49.58 -30.47 8.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 123' ' ' LYS . 54.2 mmt-85 -63.86 -40.04 95.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' A' ' 118' ' ' ALA . 31.4 p 48.15 25.7 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.39 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.56 -31.94 7.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER 62.28 149.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.97 98.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 60.24 158.06 0.05 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.89 30.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.4 t -64.38 -38.18 90.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.52 -49.95 69.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 p -97.56 -57.55 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 0.712 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m 61.8 136.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.65 156.25 6.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 t -147.6 125.94 12.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 110.012 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.27 166.5 13.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.965 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.22 64.23 0.61 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 9' ' ' ILE . 12.9 p -137.23 162.38 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.504 ' HA ' HD13 ' A' ' 9' ' ' ILE . 3.6 mm -43.3 150.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.446 HD12 ' NE ' ' A' ' 15' ' ' ARG . 1.9 tm? -113.26 116.32 29.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 0.9 OUTLIER -55.14 -168.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.487 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 2.9 mm-40 -107.51 -46.87 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -63.96 -20.93 66.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.541 ' CD2' ' NH2' ' A' ' 42' ' ' ARG . 69.5 m-85 -93.2 -16.83 24.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.487 ' CG ' ' HA ' ' A' ' 12' ' ' GLU . 3.3 mmt180 -37.66 -50.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.93 -160.11 0.09 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.73 164.81 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 7.6 mt -87.84 165.21 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.508 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -136.03 -43.04 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -137.31 147.85 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.492 ' HG2' HG23 ' A' ' 40' ' ' ILE . 32.6 mt-30 -153.96 147.35 24.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.18 -167.69 39.47 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.6 p -112.44 140.24 47.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.649 ' C ' HD22 ' A' ' 25' ' ' LEU . 96.2 mt -136.59 173.95 11.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.771 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -110.29 99.38 8.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.535 ' HE2' ' CD1' ' A' ' 98' ' ' TYR . 25.6 tttt -86.53 119.67 27.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.43 ' NE2' ' CD1' ' A' ' 34' ' ' TRP . 2.7 mm-40 -84.04 -49.92 8.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.08 -157.86 23.58 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -98.82 -55.24 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.594 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -44.2 67.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.64 110.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -127.0 -53.56 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -166.75 134.63 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.43 ' CD1' ' NE2' ' A' ' 27' ' ' GLN . 80.0 m95 -55.32 97.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.019 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -94.37 171.76 8.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.711 HG22 ' CD1' ' A' ' 25' ' ' LEU . 8.7 t -110.47 136.27 46.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -153.32 155.29 36.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.415 ' HE2' HD11 ' A' ' 40' ' ' ILE . 5.6 tttm -85.18 147.87 26.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.543 ' HD1' HD21 ' A' ' 48' ' ' LEU . 12.2 m-85 -140.7 113.83 8.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.79 HD12 ' CE1' ' A' ' 51' ' ' TYR . 80.6 mt -108.02 135.04 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.8 tp -107.91 143.53 36.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.541 ' NH2' ' CD2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -147.8 121.2 9.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.462 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -99.88 146.58 26.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.499 ' N ' ' C ' ' A' ' 45' ' ' PRO . 19.7 t0 46.39 77.41 0.46 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.499 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.5 Cg_endo -74.97 166.96 81.86 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.003 0.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.78 104.32 16.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.49 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 8.1 m-85 -148.51 168.52 22.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.831 HD12 HD12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -140.7 110.72 6.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.814 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 57.4 m80 -106.72 148.73 28.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.575 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.405 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 15.5 p90 -135.6 131.43 35.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.79 ' CE1' HD12 ' A' ' 40' ' ' ILE . 18.2 m-85 -117.14 159.94 21.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.509 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 7.4 t70 -65.44 138.37 96.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.407 ' HG3' HG12 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -75.0 -43.17 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.509 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -51.38 -38.16 51.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.405 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . 149.66 138.05 2.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.407 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . . . -171.45 176.93 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -122.02 -58.92 1.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.01 152.25 48.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.494 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.01 131.77 14.65 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.762 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.405 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 mt -52.54 -30.04 28.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 179.29 -154.46 13.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.814 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -165.25 151.91 10.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 0.777 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.831 HD12 HD12 ' A' ' 48' ' ' LEU . 20.5 mt -113.46 123.96 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.49 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 4.5 t-160 -68.97 133.96 48.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.609 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 mt -121.66 14.65 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.454 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 6.1 ptt180 -55.24 -29.32 57.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 66' ' ' ARG . . . -158.87 26.51 0.38 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.0 p -66.77 170.05 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.0 t -124.72 155.89 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.955 HG11 HG23 ' A' ' 112' ' ' ILE . 23.8 t -120.39 139.54 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.504 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -158.61 175.01 14.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.41 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.66 157.68 20.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.788 HG13 ' CA ' ' A' ' 88' ' ' PHE . 30.1 m -82.58 -167.65 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -113.12 -58.67 2.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.36 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.8 p 53.33 173.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -157.94 151.67 23.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.9 p -176.14 144.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.957 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -108.11 -59.58 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 160.92 46.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.4 114.75 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 67.26 158.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.54 125.67 45.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -103.39 -63.68 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -140.82 122.38 15.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.344 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -163.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -73.98 112.23 9.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.811 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -125.66 178.38 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.788 ' CA ' HG13 ' A' ' 73' ' ' VAL . 10.0 p90 -161.52 155.09 21.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.504 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 8.4 tt0 -105.49 134.65 48.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.594 ' CD1' HD13 ' A' ' 115' ' ' ILE . 91.3 mt -127.05 105.25 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.2 mt -81.63 141.76 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.478 HG21 HG23 ' A' ' 63' ' ' ILE . 50.6 p -103.39 -170.33 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.36 -22.76 61.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.876 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -90.95 -1.0 57.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.54 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.8 mt-10 83.02 0.78 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.876 HG23 ' HB3' ' A' ' 94' ' ' ASP . 47.6 t -58.68 133.56 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 11.2 m-70 -107.02 136.89 46.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.617 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.535 ' CD1' ' HE2' ' A' ' 26' ' ' LYS . 41.9 m-85 -131.96 135.71 46.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.405 ' C ' HD13 ' A' ' 100' ' ' LEU . 3.1 m-85 -111.84 107.05 15.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -111.38 128.49 55.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.811 ' HG3' HD23 ' A' ' 87' ' ' LEU . 7.6 tt0 -93.71 138.22 32.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -104.5 163.82 12.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.76 -59.99 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 65.3 p -101.87 162.07 21.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.394 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.99 -13.1 21.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.771 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -87.72 -28.83 21.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ARG . 2.0 tt0 -69.64 -55.95 8.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.662 ' O ' HD12 ' A' ' 112' ' ' ILE . 2.8 tmm_? -38.61 -44.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.432 HG22 ' HE3' ' A' ' 113' ' ' LYS . 1.2 m -68.59 -48.08 65.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 114' ' ' ALA . 3.6 mt-10 -52.66 -54.16 37.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.612 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 14.9 m95 -46.0 -56.45 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 107.986 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.955 HG23 HG11 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -44.31 -62.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.45 ' N ' HG22 ' A' ' 112' ' ' ILE . 10.7 mttt -57.43 -28.64 63.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -68.06 -54.66 16.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.594 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.5 mt -59.43 -42.16 86.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.705 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.5 mt-30 -58.0 -52.52 65.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.497 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -45.03 -43.16 9.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -75.49 -60.83 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.6 p -47.0 -29.53 2.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.417 ' C ' ' OG1' ' A' ' 121' ' ' THR . 54.7 mmt-85 -58.56 -29.1 66.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.417 ' OG1' ' C ' ' A' ' 120' ' ' ARG . 3.2 p 44.39 -169.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -70.47 -36.81 69.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.74 82.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.78 97.25 10.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -120.21 -150.33 8.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 81.76 2.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.058 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.9 137.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.0 t -150.67 86.77 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.038 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 52.63 95.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.034 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.2 m 56.59 89.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.957 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.68 137.66 1.04 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 p -146.25 109.95 4.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.023 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m 62.48 119.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.81 -91.0 0.12 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -134.69 153.07 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.48 ' HA ' HD13 ' A' ' 9' ' ' ILE . 3.5 mm -46.16 154.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 11' ' ' LYS . 1.5 tm? -119.02 107.5 13.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.546 ' O ' HD13 ' A' ' 10' ' ' LEU . 11.3 mtpt -54.79 -170.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -108.92 -39.7 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -67.07 -11.39 57.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.406 ' C ' ' N ' ' A' ' 16' ' ' GLY . 47.4 m-85 -102.14 -22.26 14.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -39.57 -31.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 14' ' ' PHE . . . -76.74 -165.75 22.83 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.652 HG22 ' H ' ' A' ' 18' ' ' ILE . 9.0 p -124.85 175.46 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 0.736 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.652 ' H ' HG22 ' A' ' 17' ' ' VAL . 25.0 mt -100.57 158.23 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.441 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -122.74 -41.45 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HD3' ' CE2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -157.34 128.35 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.604 ' NE2' HG21 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -146.63 156.85 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . 173.16 -149.06 10.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.3 m -108.08 143.69 36.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 100' ' ' LEU . 13.3 mt -144.45 159.61 42.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.784 HD11 HG22 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -102.14 98.82 8.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -91.66 126.74 36.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -91.41 169.44 10.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -156.61 -54.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -177.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -80.68 -39.85 26.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.83 70.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -131.39 162.13 30.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -44.26 156.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -89.03 174.99 7.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 108.028 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -141.09 116.26 9.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.784 HG22 HD11 ' A' ' 25' ' ' LEU . 42.5 t -56.99 141.57 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -154.75 145.03 21.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 11.6 tttt -80.49 135.15 36.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.754 ' CD2' HD11 ' A' ' 48' ' ' LEU . 14.5 m-85 -130.62 120.53 24.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.905 HD12 ' CE1' ' A' ' 51' ' ' TYR . 44.4 mt -111.45 128.69 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 tp -109.73 133.53 53.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.509 ' CZ ' ' ND1' ' A' ' 49' ' ' HIS . 8.4 ptp180 -138.87 127.45 23.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.483 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -101.26 138.64 38.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.267 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.516 ' N ' ' C ' ' A' ' 45' ' ' PRO . 7.8 t0 57.79 76.46 0.47 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.516 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.03 166.74 82.47 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.973 0.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.09 96.18 8.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.436 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 6.3 m-85 -146.23 151.22 37.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.028 HD12 HD12 ' A' ' 63' ' ' ILE . 1.5 tm? -117.25 111.28 19.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.509 ' ND1' ' CZ ' ' A' ' 42' ' ' ARG . 63.6 m80 -107.58 125.08 50.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.581 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.593 ' CE1' ' HB2' ' A' ' 60' ' ' LEU . 34.9 p90 -119.81 128.06 53.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.905 ' CE1' HD12 ' A' ' 40' ' ' ILE . 16.1 m-85 -109.77 156.74 19.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.505 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 5.3 t70 -69.03 141.88 92.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -50.31 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.505 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -40.76 -33.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.664 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 143.1 158.84 7.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 164.97 170.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -115.73 -61.45 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.2 154.76 66.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.99 144.32 30.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.593 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -55.8 -42.06 75.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -175.67 -153.88 10.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -148.77 134.31 18.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.028 HD12 HD12 ' A' ' 48' ' ' LEU . 10.1 mt -100.69 126.0 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.58 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 8.7 t60 -66.89 119.42 11.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.615 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.804 HD11 ' HB2' ' A' ' 48' ' ' LEU . 97.5 mt -112.61 -14.12 13.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.58 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -38.56 -68.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -118.13 43.77 1.55 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 19.6 p -81.79 -174.09 4.82 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -139.79 146.48 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.906 HG11 HG23 ' A' ' 112' ' ' ILE . 31.0 t -113.72 140.07 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.49 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -157.82 170.39 22.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.16 155.77 24.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.653 HG13 ' HA ' ' A' ' 88' ' ' PHE . 22.7 m -80.79 179.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 75' ' ' SER . 9.3 pt-20 -106.69 -34.1 7.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 1.8 p 40.83 88.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -44.4 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 m -50.3 145.56 6.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.975 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -165.85 118.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 44.58 57.52 5.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.587 1.18 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -142.42 -62.97 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.04 177.76 9.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.71 119.58 25.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -146.29 -63.59 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -144.35 128.36 17.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -75.83 -146.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -84.27 118.33 24.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.663 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -131.83 178.51 6.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.092 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.653 ' HA ' HG13 ' A' ' 73' ' ' VAL . 5.6 p90 -164.09 150.8 11.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.49 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 29.4 tt0 -101.68 142.83 32.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.712 ' CD1' HD13 ' A' ' 115' ' ' ILE . 62.1 mt -135.2 107.69 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 68' ' ' CYS . 2.3 mt -86.95 143.52 11.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 70.0 p -108.18 174.22 5.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.32 -18.32 36.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.851 ' HB3' HG23 ' A' ' 96' ' ' VAL . 16.5 t70 -93.05 -2.61 55.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.9 mt-10 80.54 4.15 1.74 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.851 HG23 ' HB3' ' A' ' 94' ' ' ASP . 42.0 t -64.43 131.55 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 9.4 m-70 -104.23 145.4 30.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.443 ' HB3' HD21 ' A' ' 100' ' ' LEU . 62.3 m-85 -137.12 140.55 41.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -116.69 108.31 15.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.722 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -117.39 127.7 54.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.663 ' HG3' HD23 ' A' ' 87' ' ' LEU . 5.5 tt0 -93.38 125.29 37.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -89.34 140.44 29.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.82 -63.84 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.413 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 1.0 OUTLIER -93.18 165.47 18.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.387 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -75.04 -16.65 20.0 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.788 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -82.21 -40.96 20.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.5 -44.25 93.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.579 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -49.26 -47.42 46.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.409 ' N ' ' HD2' ' A' ' 108' ' ' ARG . 1.0 OUTLIER -75.29 -51.04 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.424 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 114' ' ' ALA . 3.3 mt-10 -49.11 -54.58 15.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.708 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 0.5 OUTLIER -43.73 -61.57 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.906 HG23 HG11 ' A' ' 70' ' ' VAL . 1.3 mt -41.65 -65.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.485 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.9 OUTLIER -53.11 -30.9 39.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -65.04 -51.49 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.712 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.2 mt -62.36 -48.32 88.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.684 ' HG2' HG21 ' A' ' 70' ' ' VAL . 3.9 mt-30 -53.17 -49.91 65.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.448 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.4 OUTLIER -47.9 -47.72 31.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.483 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.13 -59.93 2.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 64.6 p -44.79 -44.12 9.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.952 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -66.61 -46.14 76.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 38.01 87.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.419 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -69.54 93.92 0.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.01 128.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.77 125.62 29.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.123 . . . . 0.0 109.969 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.38 -167.51 0.33 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 157.63 42.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.769 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.9 t -149.15 165.15 32.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.963 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 97.0 p 42.21 92.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.044 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.76 105.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 0.778 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 p -164.21 169.97 16.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.8 -166.69 30.91 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.87 99.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 0.743 . . . . 0.0 110.039 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -176.32 147.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.966 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.88 -88.43 0.39 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.8 t -128.91 144.76 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 mt -40.24 155.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.8 HD23 ' HB3' ' A' ' 15' ' ' ARG . 0.5 OUTLIER -133.24 145.0 50.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -93.08 -173.0 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.45 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 1.3 mt-10 -93.26 -28.51 16.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.21 1.65 20.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -121.67 -38.23 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.8 ' HB3' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.06 -14.21 59.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.163 . . . . 0.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.94 -159.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.557 HG22 ' H ' ' A' ' 18' ' ' ILE . 8.1 p -124.21 172.73 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.557 ' H ' HG22 ' A' ' 17' ' ' VAL . 3.8 mt -113.39 171.09 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.534 ' H ' HG22 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -143.9 -44.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.541 ' HD2' ' CE3' ' A' ' 111' ' ' TRP . 0.1 OUTLIER -147.77 130.92 16.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.656 ' HG2' HG23 ' A' ' 40' ' ' ILE . 31.8 mt-30 -131.66 137.14 48.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.66 -149.65 7.78 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.408 ' O ' HD23 ' A' ' 24' ' ' LEU . 26.2 p -130.71 149.0 52.56 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.536 HD11 ' CD1' ' A' ' 111' ' ' TRP . 33.6 mt -146.14 161.83 39.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.821 HD11 HG22 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -103.87 102.52 12.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.501 ' HE3' ' CE1' ' A' ' 98' ' ' TYR . 5.8 tttt -85.1 111.14 19.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.514 ' HG3' ' CE2' ' A' ' 34' ' ' TRP . 1.5 tt0 -64.9 162.79 15.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.94 -162.98 9.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.524 ' CD2' ' C ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -72.33 -46.17 56.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.588 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -62.52 -38.25 89.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 62.4 174.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER 67.84 139.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER 80.31 -53.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.748 ' CH2' HD22 ' A' ' 87' ' ' LEU . 5.8 m0 67.72 -176.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.65 118.69 8.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.821 HG22 HD11 ' A' ' 25' ' ' LEU . 39.0 t -60.78 139.85 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -151.58 140.53 21.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -81.3 97.0 7.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.533 ' CD2' HD11 ' A' ' 48' ' ' LEU . 10.3 m-85 -87.62 118.42 27.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.937 HD12 ' CE1' ' A' ' 51' ' ' TYR . 63.8 mt -111.77 129.17 67.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.449 HD23 HG13 ' A' ' 19' ' ' ILE . 15.4 tp -108.31 134.61 50.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.438 ' CA ' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -137.0 127.91 27.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -104.07 138.92 39.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.501 ' N ' ' C ' ' A' ' 45' ' ' PRO . 1.3 m-20 58.17 76.99 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.501 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -74.98 170.6 71.39 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.036 -0.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.51 101.4 13.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.463 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 8.7 m-85 -147.99 164.28 34.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.107 HD12 HD12 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -139.77 111.16 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.761 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 53.8 m80 -106.46 148.41 28.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.61 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.55 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 21.6 p90 -132.07 120.72 22.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.937 ' CE1' HD12 ' A' ' 40' ' ' ILE . 14.4 m-85 -107.95 168.2 9.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.662 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 9.5 t70 -79.87 137.24 54.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.594 ' HG3' HG12 ' A' ' 36' ' ' VAL . 18.4 Cg_endo -74.97 -35.52 3.12 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.662 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -52.02 -37.25 52.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.91 -99.41 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 61.82 -167.89 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -151.49 -57.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.75 154.04 73.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.99 131.49 14.35 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.55 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 2.0 mt -57.17 -29.64 63.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 176.12 -168.21 40.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.761 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -151.74 153.55 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.107 HD12 HD12 ' A' ' 48' ' ' LEU . 18.3 mt -115.23 118.96 60.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.499 ' CG ' ' HG2' ' A' ' 66' ' ' ARG . 5.1 t-160 -66.76 128.86 37.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.628 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 mt -117.04 15.38 15.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.499 ' HG2' ' CG ' ' A' ' 64' ' ' HIS . 3.7 ptt180 -53.23 -24.28 10.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -166.78 30.03 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.9 p -67.76 171.39 6.54 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.1 t -127.44 153.16 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.906 HG11 HG23 ' A' ' 112' ' ' ILE . 23.3 t -118.9 138.8 48.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.505 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -158.19 172.91 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.443 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.19 163.3 13.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.036 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.611 HG23 ' H ' ' A' ' 75' ' ' SER . 12.3 m -100.48 172.93 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -106.44 30.47 5.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.611 ' H ' HG23 ' A' ' 73' ' ' VAL . 49.0 m -106.67 89.68 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -138.29 178.32 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.72 -59.1 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 0.0 109.994 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -46.58 110.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.12 -150.94 8.47 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 40.55 36.44 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 110.342 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.88 100.25 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.59 73.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.971 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -150.01 -54.49 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.846 ' HB3' HD11 ' A' ' 87' ' ' LEU . 9.9 mt-10 -140.9 101.01 3.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -115.15 -19.24 10.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.603 ' O ' HD12 ' A' ' 87' ' ' LEU . 62.5 m-20 -154.61 -77.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.846 HD11 ' HB3' ' A' ' 84' ' ' GLU . 0.0 OUTLIER 62.33 -177.7 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 20.8 p90 -165.36 153.43 11.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.505 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 26.5 tt0 -99.73 145.08 28.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 75.3 mt -141.36 103.81 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -81.99 140.83 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.451 HG21 HG23 ' A' ' 63' ' ' ILE . 39.3 p -101.34 -173.08 2.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.11 -15.86 62.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.51 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -96.79 0.26 49.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.547 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 7.0 mt-10 81.71 -1.13 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.51 HG23 ' HB3' ' A' ' 94' ' ' ASP . 21.9 t -58.63 135.4 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 12.0 m-70 -108.08 141.9 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.501 ' CE1' ' HE3' ' A' ' 26' ' ' LYS . 57.9 m-85 -138.49 131.67 30.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.446 ' HD2' HG11 ' A' ' 73' ' ' VAL . 77.1 m-85 -110.92 106.2 15.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.596 HD22 ' N ' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -103.22 137.77 40.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.721 ' CB ' HD23 ' A' ' 87' ' ' LEU . 2.1 tt0 -92.48 127.1 37.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.95 133.06 43.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.0 -39.89 63.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.3 p -131.07 166.38 28.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -20.83 16.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -37.83 70.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -68.8 -43.84 74.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.922 ' O ' HD12 ' A' ' 112' ' ' ILE . 5.1 ttp180 -48.27 -47.45 36.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.89 -44.27 66.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 114' ' ' ALA . 4.0 mt-10 -57.41 -60.42 3.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.71 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 1.5 m95 -42.23 -59.34 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 107.994 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.922 HD12 ' O ' ' A' ' 108' ' ' ARG . 0.8 OUTLIER -43.36 -66.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.522 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -54.1 -24.66 18.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -72.75 -57.74 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.431 HD12 ' O ' ' A' ' 111' ' ' TRP . 2.1 mp -57.84 -39.1 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.735 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.4 mt-30 -61.21 -51.45 68.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.491 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -47.78 -42.81 26.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -74.39 -58.19 3.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.1 p -50.23 -29.62 9.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 116' ' ' GLN . 14.4 mmt85 -60.05 -30.21 69.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.407 ' OG1' ' C ' ' A' ' 120' ' ' ARG . 8.3 p 44.5 -167.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -130.16 20.79 4.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.08 133.97 43.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 0.75 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.36 -83.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.956 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 173.69 163.51 27.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 68.56 5.72 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.534 1.808 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.25 -93.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.6 -53.36 39.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.991 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 p -114.49 143.73 44.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.006 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -168.96 145.96 3.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.47 -116.0 2.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.135 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.67 90.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 0.738 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.88 120.4 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.783 ' O ' HG12 ' A' ' 8' ' ' VAL . . . 138.08 -65.56 0.54 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.783 HG12 ' O ' ' A' ' 7' ' ' GLY . 9.7 p 52.11 170.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.773 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.516 ' CG2' ' N ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER 55.42 165.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.525 HD11 ' O ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -67.33 -151.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' H ' HD12 ' A' ' 10' ' ' LEU . 29.2 mttt -151.59 -121.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.429 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 3.2 mm-40 -135.42 -44.04 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.573 ' HG3' ' CD1' ' A' ' 14' ' ' PHE . 13.0 pt-20 -81.4 -26.14 35.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.573 ' CD1' ' HG3' ' A' ' 13' ' ' GLU . 20.1 m-30 -91.0 0.46 57.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.429 ' HG3' ' HA ' ' A' ' 12' ' ' GLU . 21.7 mmm180 -68.75 60.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 14' ' ' PHE . . . -158.57 -151.97 6.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.522 HG22 ' N ' ' A' ' 18' ' ' ILE . 14.7 p -129.06 170.02 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.575 ' C ' HD13 ' A' ' 19' ' ' ILE . 39.4 mt -107.54 165.45 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.967 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -143.9 -45.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HG2' ' CD2' ' A' ' 111' ' ' TRP . 4.3 tptt -123.62 146.72 47.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.547 ' HG2' HG23 ' A' ' 40' ' ' ILE . 30.7 mt-30 -156.78 143.76 18.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.19 -171.92 36.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.7 p -103.63 144.73 31.06 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 20.9 mt -139.48 159.76 41.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.762 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -102.32 99.22 9.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -88.99 124.41 34.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.68 162.98 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.41 ' O ' ' CB ' ' A' ' 29' ' ' HIS . . . 92.93 98.06 1.44 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.41 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 0.8 OUTLIER 169.34 -62.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 109.602 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.27 -31.82 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 57.68 85.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.99 -40.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -153.69 167.05 30.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 29.4 m95 -88.07 135.98 33.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 107.984 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.21 142.37 41.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.738 HG22 HD11 ' A' ' 25' ' ' LEU . 17.7 t -83.73 140.58 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.1 154.41 30.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 50' ' ' TYR . 7.5 tttt -84.76 143.48 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.097 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.624 ' CD2' HD11 ' A' ' 48' ' ' LEU . 8.3 m-85 -139.97 113.25 8.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.758 HD12 ' HE1' ' A' ' 51' ' ' TYR . 76.0 mt -110.96 137.05 45.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 36.9 tp -108.95 142.16 40.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 45' ' ' PRO . 22.3 mtp180 -138.84 123.08 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.967 ' HG2' HD12 ' A' ' 19' ' ' ILE . 2.2 pt-20 -100.1 136.27 40.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.467 ' N ' ' C ' ' A' ' 45' ' ' PRO . 34.4 t0 55.4 78.42 0.38 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.467 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.01 172.18 64.33 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.989 -2.505 . . . . 0.0 110.993 0.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.6 95.77 7.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.409 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 5.8 m-85 -140.91 157.39 45.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.03 HD12 HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -131.88 110.64 10.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.594 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 81.0 m80 -103.75 154.4 19.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.593 ' CE1' ' C ' ' A' ' 61' ' ' GLY . 1.5 p90 -145.95 122.72 11.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.758 ' HE1' HD12 ' A' ' 40' ' ' ILE . 4.4 m-85 -110.53 165.2 11.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 8.9 t0 -68.61 139.52 91.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -49.81 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.425 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -41.67 -44.79 3.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.8 135.58 2.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -165.7 -148.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.38 -46.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -97.4 149.75 36.05 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -75.0 129.21 12.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mt -48.97 -27.5 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.593 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . 173.19 -170.94 44.09 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.594 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -145.57 158.47 43.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.794 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.03 HD12 HD12 ' A' ' 48' ' ' LEU . 17.9 mt -124.46 110.57 25.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 7.5 t-160 -59.26 129.57 42.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.644 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.0 mt -109.48 22.08 16.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.567 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -72.23 82.92 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.2 28.85 52.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.6 p -69.4 173.19 6.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 36.3 t -122.5 149.01 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.049 HG11 HG23 ' A' ' 112' ' ' ILE . 25.1 t -120.52 138.08 52.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.491 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.4 t -158.68 175.42 13.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.82 163.13 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.773 HG13 ' CA ' ' A' ' 88' ' ' PHE . 10.7 m -85.85 -157.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.88 35.87 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.72 ' H ' HG23 ' A' ' 73' ' ' VAL . 6.7 t -71.07 72.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -92.79 -60.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.2 m -147.14 154.19 40.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 176.81 125.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.17 -124.44 25.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.47 -55.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.338 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -81.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.4 t -170.38 104.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -109.84 -56.7 2.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -136.87 121.56 18.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -77.53 -146.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -81.67 126.66 32.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.615 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -136.69 166.29 23.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.773 ' CA ' HG13 ' A' ' 73' ' ' VAL . 7.0 p90 -152.52 151.04 30.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.491 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 6.4 tt0 -100.01 145.43 27.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.678 ' CD1' HD13 ' A' ' 115' ' ' ILE . 93.5 mt -138.4 106.09 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.6 mt -86.9 142.8 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.538 HG21 ' CG2' ' A' ' 63' ' ' ILE . 72.1 p -106.79 179.15 4.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.73 -16.23 60.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.826 ' HB3' HG23 ' A' ' 96' ' ' VAL . 29.0 t70 -95.86 -1.09 50.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.565 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 79.27 5.05 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.826 HG23 ' HB3' ' A' ' 94' ' ' ASP . 43.7 t -65.28 129.98 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.565 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 7.5 m-70 -102.91 143.94 31.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.626 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.571 ' CE2' HG12 ' A' ' 96' ' ' VAL . 72.0 m-85 -136.3 135.47 38.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.47 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 60.7 m-85 -111.52 107.49 16.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -115.61 132.63 56.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.615 ' HG3' HD23 ' A' ' 87' ' ' LEU . 3.9 tt0 -96.88 123.76 40.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.18 134.03 35.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.167 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.76 -65.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 63.9 p -96.01 162.43 23.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.443 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.74 21.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -91.03 -28.23 18.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -71.06 -35.79 72.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.302 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.485 ' O ' HD12 ' A' ' 112' ' ' ILE . 4.4 ttm180 -58.9 -44.88 91.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 m -69.26 -41.76 76.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.4 mt-10 -58.8 -59.8 4.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.675 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 9.4 m95 -43.83 -60.61 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 107.981 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.049 HG23 HG11 ' A' ' 70' ' ' VAL . 3.1 mt -41.08 -66.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.481 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -53.38 -30.85 42.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -66.07 -56.11 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.678 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.5 mt -57.72 -36.43 54.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.093 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.69 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.4 mt-30 -64.09 -51.44 64.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.489 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -48.37 -42.19 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.427 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -69.58 -66.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 30.3 t -48.83 -29.01 4.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' GLN . 18.4 mmt-85 -60.7 -46.34 90.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 120' ' ' ARG . 1.7 t -38.44 141.93 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.108 . . . . 0.0 110.416 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -109.72 116.15 4.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.558 1.161 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -42.4 111.49 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.0 m -104.62 101.36 11.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -83.07 -161.9 31.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.3 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.0 m 62.0 137.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 36.8 m -138.28 95.81 3.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.4 p -68.9 -178.63 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 0.0 110.044 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.8 84.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.029 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.04 -124.01 5.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 41.73 81.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.986 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 p -146.55 -53.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.63 56.71 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 9' ' ' ILE . 2.6 t 57.9 161.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 0.737 . . . . 0.0 109.239 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' A' ' 10' ' ' LEU . 11.9 mt 56.4 162.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 11' ' ' LYS . 3.2 tm? -132.11 103.78 6.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.55 ' O ' HD13 ' A' ' 10' ' ' LEU . 20.3 mttt -82.43 -171.2 3.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.12 -40.72 15.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -15.82 21.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.247 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -104.41 24.11 12.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.539 ' CD ' HD11 ' A' ' 10' ' ' LEU . 5.6 mmm180 -103.87 -168.7 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.85 160.06 7.53 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 m -87.94 -178.11 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.535 HD12 ' CG2' ' A' ' 40' ' ' ILE . 24.1 mm -105.35 143.55 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.467 HD11 ' CA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -112.19 -27.54 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -168.91 147.26 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.648 ' HG2' HG23 ' A' ' 40' ' ' ILE . 59.9 mt-30 -140.02 159.78 41.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.63 -170.48 35.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.1 p -106.49 159.87 15.84 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 12.6 mt -154.03 152.66 30.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.818 HD11 HG22 ' A' ' 36' ' ' VAL . 0.6 OUTLIER -96.65 100.22 11.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -89.97 119.23 30.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -85.93 137.9 32.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 147.81 66.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -163.47 165.16 24.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.586 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -61.9 -42.83 99.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.67 145.46 2.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -65.36 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -55.44 -179.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -88.47 -168.22 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 108.006 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.42 118.79 8.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.818 HG22 HD11 ' A' ' 25' ' ' LEU . 41.5 t -63.68 142.81 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.03 151.97 22.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 50' ' ' TYR . 8.1 tptt -83.21 141.65 31.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.793 ' CD2' HD11 ' A' ' 48' ' ' LEU . 10.2 m-85 -137.62 113.62 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.785 HD12 ' CE1' ' A' ' 51' ' ' TYR . 66.3 mt -109.17 132.52 57.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.428 HD23 HG13 ' A' ' 19' ' ' ILE . 25.5 tp -108.12 135.56 49.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.467 ' CA ' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -139.15 126.49 21.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -101.67 138.82 38.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.507 ' N ' ' C ' ' A' ' 45' ' ' PRO . 52.2 t0 58.45 76.58 0.45 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.507 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.5 Cg_endo -75.01 164.91 87.31 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.044 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.403 ' HB2' HG22 ' A' ' 121' ' ' THR . . . -93.54 96.79 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.438 ' N ' HD12 ' A' ' 65' ' ' LEU . 5.2 m-85 -144.89 162.86 35.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.157 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.939 ' CD1' HD12 ' A' ' 63' ' ' ILE . 1.5 tm? -130.77 111.04 11.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.429 ' NE2' ' HB2' ' A' ' 62' ' ' ALA . 45.1 m80 -105.69 140.62 38.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.615 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.576 ' CE1' ' O ' ' A' ' 61' ' ' GLY . 3.0 p90 -134.42 125.87 28.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.785 ' CE1' HD12 ' A' ' 40' ' ' ILE . 3.4 m-85 -113.11 159.94 18.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 12.0 t70 -64.39 143.08 98.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -46.01 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.475 1.776 . . . . 0.0 110.958 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.409 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -60.41 -31.95 70.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.584 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 144.94 157.07 7.07 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.475 1.109 . . . . 0.0 111.056 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 171.12 -33.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 76.15 -69.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.84 149.32 96.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.529 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.2 Cg_endo -74.96 133.92 17.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.27 -29.6 63.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.576 ' O ' ' CE1' ' A' ' 50' ' ' TYR . . . 170.76 173.66 38.1 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.429 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . . . -118.7 166.73 12.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.939 HD12 ' CD1' ' A' ' 48' ' ' LEU . 35.7 mt -133.7 113.93 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.614 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 2.0 t-80 -56.43 124.99 20.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.628 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.633 HD22 HG23 ' A' ' 115' ' ' ILE . 72.3 mt -110.72 -29.62 7.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.614 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 3.3 mtt-85 -36.59 -50.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.346 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.05 56.37 0.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.428 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 20.3 p -106.08 178.68 4.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 91' ' ' ILE . 46.3 t -140.47 141.57 32.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.032 HG11 HG23 ' A' ' 112' ' ' ILE . 37.4 t -108.12 138.44 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.485 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.2 t -157.18 175.84 13.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.97 144.91 42.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.02 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.787 HG13 ' HA ' ' A' ' 88' ' ' PHE . 15.5 m -71.27 -160.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -126.83 -45.68 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 p 48.72 -175.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' SER . 0.7 OUTLIER -86.5 165.55 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 76' ' ' ASN . 23.1 p -39.37 -56.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.18 87.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.28 -46.83 5.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.42 82.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 0.773 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 82' ' ' SER . 0.0 OUTLIER 72.62 167.25 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.329 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER 83.89 117.09 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 67.62 -63.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 82' ' ' SER . 28.9 mt-10 -145.56 126.97 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.252 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -74.66 -149.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -79.94 123.57 27.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.488 ' CD2' ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -132.7 -177.67 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.787 ' HA ' HG13 ' A' ' 73' ' ' VAL . 14.7 p90 -169.97 149.63 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.582 ' OE1' HD11 ' A' ' 91' ' ' ILE . 5.4 tt0 -99.88 138.5 36.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.7 mt -131.71 108.79 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.582 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.6 mt -88.73 141.88 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.725 HG21 HG23 ' A' ' 63' ' ' ILE . 34.5 p -104.7 -179.58 3.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.28 -15.17 62.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.5 ' CB ' HG23 ' A' ' 96' ' ' VAL . 1.5 m-20 -97.33 -0.19 46.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.598 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 78.7 5.43 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.5 HG23 ' CB ' ' A' ' 94' ' ' ASP . 20.1 t -63.95 131.26 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 12.6 m-70 -102.92 138.17 40.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.566 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.422 ' HB3' HD21 ' A' ' 100' ' ' LEU . 61.1 m-85 -133.3 134.33 43.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -111.33 107.57 16.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.718 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -114.79 128.48 56.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.488 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 4.6 tt0 -93.47 129.04 39.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.761 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -98.15 122.5 41.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.76 -63.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.413 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 2.9 p -93.82 164.12 21.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.431 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.95 -16.0 20.56 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.525 1.802 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.94 -48.75 12.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.761 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 1.9 tp10 -50.18 -48.95 53.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.663 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -48.71 -43.96 37.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.81 -50.46 24.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 114' ' ' ALA . 6.7 mt-10 -52.83 -56.83 12.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.72 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 3.7 m95 -43.6 -59.16 2.3 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.032 HG23 HG11 ' A' ' 70' ' ' VAL . 1.7 mt -41.03 -66.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.521 ' N ' HG22 ' A' ' 112' ' ' ILE . 27.4 mtmt -55.68 -29.98 60.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -62.55 -57.22 11.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.633 HG23 HD22 ' A' ' 65' ' ' LEU . 1.7 mp -58.8 -40.28 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.801 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.4 mt-30 -60.54 -50.42 73.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.48 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -50.06 -44.13 51.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.445 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -74.79 -59.73 2.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.7 p -47.59 -34.63 8.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -59.69 -33.38 71.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 118' ' ' ALA . 31.0 p 44.29 -165.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -71.4 -28.23 70.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.67 -76.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.42 106.16 8.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.945 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 162.59 160.95 11.57 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -49.67 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 51.7 p -166.4 -57.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.963 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.0 t -157.1 -57.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.032 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.42 71.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.986 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 m -122.8 134.36 54.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.025 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.39 93.01 0.16 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.561 1.163 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 p -137.15 123.63 20.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 109.961 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -85.12 97.25 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.36 -176.58 32.92 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 p -132.26 169.71 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 10' ' ' LEU . 1.7 mp -49.8 163.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.974 HD23 ' N ' ' A' ' 11' ' ' LYS . 6.8 tt -143.16 155.27 44.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.974 ' N ' HD23 ' A' ' 10' ' ' LEU . 28.1 mttt -54.04 -176.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.84 -7.05 14.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.586 ' OE2' ' CZ ' ' A' ' 14' ' ' PHE . 12.0 pt-20 -92.57 -2.54 56.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.645 ' HB2' HD21 ' A' ' 10' ' ' LEU . 20.2 m-85 -136.85 44.69 2.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -126.22 20.31 7.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 110.331 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -107.41 -137.85 8.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 p -143.77 161.21 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 0.758 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.807 HG21 ' CD ' ' A' ' 21' ' ' GLN . 48.6 mm -94.06 144.79 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -110.91 -40.68 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -150.95 150.07 30.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.807 ' CD ' HG21 ' A' ' 18' ' ' ILE . 48.9 mt-30 -146.48 158.43 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.9 -171.97 37.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.0 p -110.47 139.17 45.94 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 mt -131.89 162.46 30.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.774 HD11 HG22 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -100.67 99.23 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.594 ' HG3' HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -86.47 116.8 24.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.446 ' HG3' ' CD2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -91.64 140.88 29.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.18 -101.26 2.05 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -164.95 -57.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 0.776 . . . . 0.0 109.588 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -38.63 71.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.24 138.84 55.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -72.74 -76.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -73.9 -165.51 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.446 ' CD2' ' HG3' ' A' ' 27' ' ' GLN . 6.6 m95 -98.79 -168.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.015 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -153.36 119.22 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.774 HG22 HD11 ' A' ' 25' ' ' LEU . 40.5 t -64.25 140.59 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -156.08 154.62 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.88 131.44 35.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.787 ' CD1' HD11 ' A' ' 48' ' ' LEU . 4.5 m-85 -127.44 112.86 15.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.996 HD12 ' CE1' ' A' ' 51' ' ' TYR . 51.5 mt -107.47 129.14 61.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.1 tp -107.51 135.87 48.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.571 ' NH1' HD11 ' A' ' 18' ' ' ILE . 4.4 ptp180 -138.29 126.03 22.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -101.07 144.19 30.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.516 ' N ' ' C ' ' A' ' 45' ' ' PRO . 15.6 t70 57.82 76.12 0.49 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.516 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.4 Cg_endo -75.01 169.41 74.64 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.998 0.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.49 96.69 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.559 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 6.7 m-85 -145.37 161.59 39.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.042 HD12 HD12 ' A' ' 63' ' ' ILE . 1.1 tm? -131.75 110.97 11.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.795 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 62.9 m80 -105.22 147.87 27.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.63 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.525 ' HD2' HD23 ' A' ' 60' ' ' LEU . 2.1 p90 -132.95 149.9 52.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.996 ' CE1' HD12 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -137.22 148.26 46.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 110.977 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 55' ' ' GLY . 1.1 t70 -61.78 138.7 95.44 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.441 ' C ' ' N ' ' A' ' 55' ' ' GLY . 18.4 Cg_endo -75.01 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.42 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -41.38 -29.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 53' ' ' PRO . . . 129.91 137.57 4.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -168.29 179.51 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -115.22 -53.23 2.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -102.14 152.81 38.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.562 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -75.0 144.97 30.88 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.793 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.763 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -58.92 -44.84 91.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.496 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . -172.9 -164.71 28.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.795 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -147.5 163.09 37.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.042 HD12 HD12 ' A' ' 48' ' ' LEU . 19.9 mt -119.17 116.95 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.559 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 5.7 t-160 -61.66 119.49 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.602 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.411 ' HA ' ' SG ' ' A' ' 68' ' ' CYS . 24.3 mt -102.59 10.64 38.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.491 ' HD2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -52.4 -60.99 2.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.3 35.29 2.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 15.6 p -74.93 175.61 7.93 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -137.9 151.09 25.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.904 HG11 HG23 ' A' ' 112' ' ' ILE . 25.0 t -116.37 138.59 46.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.498 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -153.83 175.73 12.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.69 162.59 18.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.608 HG23 ' H ' ' A' ' 75' ' ' SER . 25.2 m -98.67 -167.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -125.49 26.1 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.608 ' H ' HG23 ' A' ' 73' ' ' VAL . 84.6 p -43.41 -57.07 3.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 57.64 93.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 p -55.13 -20.16 9.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -68.19 101.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 81' ' ' LYS . . . 174.41 80.41 0.05 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 56.75 -87.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 79' ' ' GLY . 0.6 OUTLIER -102.85 -169.04 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -73.04 -63.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 67.5 -64.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 82' ' ' SER . 58.0 mt-10 -133.38 121.86 22.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -66.82 -147.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.465 ' ND2' ' CA ' ' A' ' 105' ' ' PRO . 69.5 m-80 -90.07 111.05 22.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.423 HD11 ' HB3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -114.31 178.17 4.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 33.1 p90 -165.94 156.05 12.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.498 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 36.2 tt0 -105.93 149.97 26.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.425 ' CD1' HD13 ' A' ' 115' ' ' ILE . 52.9 mt -143.35 109.35 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -86.83 141.27 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.572 HG21 HG23 ' A' ' 63' ' ' ILE . 42.3 p -102.26 -165.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.03 -21.48 56.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.767 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -93.89 2.35 56.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.594 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.7 mt-10 80.0 2.13 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.767 HG23 ' HB3' ' A' ' 94' ' ' ASP . 24.8 t -59.87 130.16 23.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 9.1 m-70 -103.5 141.34 36.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.604 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -134.8 128.89 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -111.39 107.44 16.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -110.49 145.74 37.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.502 ' HB3' HD23 ' A' ' 25' ' ' LEU . 1.2 tt0 -97.92 122.86 41.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.17 121.25 34.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.06 -62.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 26.4 p -100.26 162.48 20.79 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 110.424 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.465 ' CA ' ' ND2' ' A' ' 86' ' ' ASN . 18.4 Cg_endo -75.0 -7.65 19.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -91.55 -33.27 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.44 -39.34 94.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.851 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.7 tmm_? -57.82 -45.21 86.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -71.27 -41.91 69.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 110.364 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.9 mt-10 -60.32 -55.58 31.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.65 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 6.1 m95 -45.92 -59.77 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 108.009 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.904 HG23 HG11 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -43.2 -64.14 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.471 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.6 OUTLIER -54.97 -26.86 39.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -72.18 -57.43 4.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.586 HD12 ' O ' ' A' ' 111' ' ' TRP . 2.7 mp -58.16 -43.38 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.743 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.6 mt-30 -57.74 -52.08 66.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.472 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -48.17 -44.93 32.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.444 ' N ' ' HG2' ' A' ' 117' ' ' MET . . . -69.78 -66.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 118' ' ' ALA . 86.3 p -37.98 -49.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.404 ' C ' HG22 ' A' ' 121' ' ' THR . 68.3 mtt-85 -66.68 -46.61 75.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.243 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.404 HG22 ' C ' ' A' ' 120' ' ' ARG . 0.5 OUTLIER 39.05 90.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.406 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -99.15 69.57 0.57 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.49 124.12 3.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.772 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.6 p -59.5 124.2 19.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -158.96 157.67 28.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -44.82 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 t -85.88 94.79 9.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 72.1 p -45.19 129.88 7.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.57 164.51 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 0.0 110.03 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.39 -60.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.024 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.37 -169.27 22.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m 61.02 -95.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.96 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.0 p -102.98 133.28 48.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.15 126.73 3.95 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.124 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' ILE . 12.1 t -105.25 151.99 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.319 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' VAL . 9.8 mt -39.88 154.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.699 HD13 ' O ' ' A' ' 11' ' ' LYS . 2.5 tm? -135.43 97.06 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.699 ' O ' HD13 ' A' ' 10' ' ' LEU . 14.0 mttt -45.7 158.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -80.06 -52.01 8.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -57.28 -16.55 8.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.64 ' CD1' ' NH1' ' A' ' 42' ' ' ARG . 13.6 m-30 -101.38 5.84 42.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -68.82 60.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' PHE . . . -166.7 -161.2 15.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.554 1.159 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.4 p -128.62 168.05 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.748 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 13.8 mt -92.51 165.23 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.495 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -131.19 -44.02 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -145.95 147.52 31.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.562 ' HG2' HG23 ' A' ' 40' ' ' ILE . 34.6 mt-30 -146.5 157.66 43.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.68 179.26 31.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.152 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.6 p -98.1 142.76 29.39 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.488 ' C ' HD22 ' A' ' 25' ' ' LEU . 23.3 mt -135.73 164.18 28.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.786 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -103.15 98.51 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -90.95 127.95 36.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.406 ' HG3' ' CD2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -99.89 118.45 36.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.44 -136.63 8.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -120.49 62.71 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.575 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.97 -39.38 5.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.12 85.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 178.75 -58.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -170.33 178.14 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.406 ' CD2' ' HG3' ' A' ' 27' ' ' GLN . 5.9 m0 -83.9 161.77 20.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 108.042 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.26 129.52 46.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.737 HG22 HD11 ' A' ' 25' ' ' LEU . 23.0 t -72.67 135.21 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -150.65 158.6 44.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -88.7 139.79 30.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.682 ' CD1' HD11 ' A' ' 48' ' ' LEU . 10.4 m-85 -135.63 114.63 12.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.801 HD12 ' CE1' ' A' ' 51' ' ' TYR . 71.3 mt -108.78 131.79 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.6 tp -109.28 136.89 48.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.64 ' NH1' ' CD1' ' A' ' 14' ' ' PHE . 17.6 ptp180 -141.35 126.2 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -100.74 142.67 31.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.509 ' N ' ' C ' ' A' ' 45' ' ' PRO . 9.4 t70 57.77 76.42 0.47 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.509 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.0 169.34 74.82 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.013 -0.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.78 97.08 9.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.413 ' N ' HD12 ' A' ' 65' ' ' LEU . 6.7 m-85 -149.35 152.38 35.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.939 ' CD1' HD12 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -115.84 114.86 25.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.529 ' NE2' ' HB2' ' A' ' 62' ' ' ALA . 32.3 m80 -106.23 125.69 51.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.63 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 29.8 p90 -122.25 131.83 54.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.801 ' CE1' HD12 ' A' ' 40' ' ' ILE . 6.2 m-85 -119.13 160.6 21.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.471 ' OD1' ' HB3' ' A' ' 54' ' ' ALA . 5.0 t70 -70.28 143.63 91.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -49.98 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.544 1.813 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.471 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . . . -43.35 -35.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 147.09 149.93 5.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . -179.81 176.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.35 -58.17 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.22 154.98 47.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.564 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.92 126.65 10.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 3.8 mt -42.87 -28.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 59' ' ' PRO . . . 168.86 -166.26 39.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.529 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . . . -141.31 147.62 38.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.939 HD12 ' CD1' ' A' ' 48' ' ' LEU . 49.1 mt -110.7 128.42 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.526 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 25.4 t60 -63.71 126.46 27.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.649 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' ' 66' ' ' ARG . 49.2 mt -118.5 -34.53 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.526 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 7.8 mtt180 -30.96 -45.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.488 ' H ' ' CD2' ' A' ' 64' ' ' HIS . . . -137.24 58.56 0.64 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.567 1.167 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 20.4 p -105.24 -177.48 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.7 t -137.55 147.27 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.025 HG11 HG23 ' A' ' 112' ' ' ILE . 38.4 t -114.53 140.6 34.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.474 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 1.0 OUTLIER -157.7 175.88 13.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 110.373 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.33 153.66 32.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.046 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.854 HG13 ' HA ' ' A' ' 88' ' ' PHE . 16.0 m -83.37 -179.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -117.67 26.21 9.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.548 ' H ' HG23 ' A' ' 73' ' ' VAL . 56.8 m -83.56 161.49 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 37.2 t30 63.68 171.01 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.02 171.22 19.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -40.92 104.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 125.58 -170.64 17.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.73 119.95 17.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.95 -46.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.66 124.56 14.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.033 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -51.1 -59.11 4.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.588 ' HB3' HD11 ' A' ' 87' ' ' LEU . 5.9 mt-10 -44.89 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -161.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -74.2 109.5 7.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.647 HD23 ' HG3' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -115.04 -179.24 3.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.854 ' HA ' HG13 ' A' ' 73' ' ' VAL . 12.8 p90 -169.14 149.02 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.552 ' OE1' HD11 ' A' ' 91' ' ' ILE . 6.2 tt0 -99.63 140.76 33.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.643 HD13 HD13 ' A' ' 115' ' ' ILE . 80.6 mt -132.67 103.45 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.552 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.4 mt -83.4 143.84 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.741 HG21 HG23 ' A' ' 63' ' ' ILE . 68.2 p -110.12 175.25 5.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.485 ' CB ' ' CD2' ' A' ' 64' ' ' HIS . . . -59.09 -20.22 51.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.823 ' HB3' HG23 ' A' ' 96' ' ' VAL . 56.2 t0 -91.61 -1.96 57.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.612 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 5.7 mt-10 78.62 5.43 2.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.823 HG23 ' HB3' ' A' ' 94' ' ' ASP . 45.5 t -63.46 132.97 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.612 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 11.0 m-70 -106.97 138.18 43.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -132.18 141.77 49.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -115.51 109.15 17.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.654 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -117.29 139.52 50.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.647 ' HG3' HD23 ' A' ' 87' ' ' LEU . 4.3 tt0 -105.51 125.56 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -92.4 124.13 36.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.93 -53.18 6.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 38.4 p -108.07 163.28 17.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.96 -15.99 20.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -84.51 -31.53 24.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.528 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -68.08 -40.79 82.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.59 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.0 OUTLIER -54.02 -46.71 71.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.9 -41.57 78.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.428 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.88 -52.94 63.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.572 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 14.3 m95 -50.64 -61.24 2.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 108.002 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.025 HG23 HG11 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -40.38 -62.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.451 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -55.76 -39.56 71.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -56.07 -55.56 31.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.643 HD13 HD13 ' A' ' 90' ' ' ILE . 3.0 mt -58.86 -43.24 87.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.745 ' HG2' HG21 ' A' ' 70' ' ' VAL . 4.1 mt-30 -57.08 -52.01 67.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.452 ' SD ' HG21 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -47.97 -46.43 32.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.963 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.532 ' O ' HG22 ' A' ' 121' ' ' THR . . . -69.55 -65.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 79.9 p -43.49 -33.47 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -59.82 -42.77 94.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 118' ' ' ALA . 2.2 t -49.5 -38.12 29.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -89.52 -59.04 1.57 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.86 130.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.3 p -54.53 -59.15 5.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 123.47 167.78 12.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.477 1.11 . . . . 0.0 111.063 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 58.77 4.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.24 104.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 82.5 p -122.21 101.67 7.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.954 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 p -117.33 81.81 1.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.041 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -172.32 -55.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.8 97.55 0.67 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.03 132.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 110.021 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -77.86 137.2 38.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.87 -119.33 0.89 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' ' 9' ' ' ILE . 21.2 t -119.13 158.25 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.474 ' HA ' HD13 ' A' ' 9' ' ' ILE . 3.6 mm -48.91 151.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.472 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -81.68 104.09 11.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 15.5 mttt -55.9 -169.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -105.07 -43.98 4.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -64.64 -15.11 60.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -104.46 11.82 34.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -77.98 55.36 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -157.29 -149.82 5.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.28 164.25 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.502 ' CG2' ' N ' ' A' ' 19' ' ' ILE . 15.9 mt -93.35 165.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.502 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -141.17 -43.38 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HG2' ' CD2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -132.64 146.69 52.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.569 ' HG2' HG23 ' A' ' 40' ' ' ILE . 34.6 mt-30 -154.85 149.21 26.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.71 -170.9 34.21 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.2 m -99.85 152.2 20.41 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.534 ' HB2' ' CD1' ' A' ' 39' ' ' PHE . 16.6 mt -150.08 155.21 39.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.764 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -97.39 98.8 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -89.75 122.66 33.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.03 149.7 23.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -145.32 -144.64 4.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -114.51 64.28 0.67 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 0.749 . . . . 0.0 109.617 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -107.71 -40.29 5.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.97 80.02 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.8 -43.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 171.7 -171.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.405 ' CD1' ' N ' ' A' ' 34' ' ' TRP . 5.4 m0 -90.77 -176.97 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HG2' ' CZ ' ' A' ' 37' ' ' ARG . 2.2 tttt -148.27 136.57 21.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.632 HG22 HD11 ' A' ' 25' ' ' LEU . 16.4 t -79.75 135.28 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 35' ' ' LYS . 78.9 mtt-85 -153.06 152.2 31.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -80.36 141.65 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.611 ' CD2' HD11 ' A' ' 48' ' ' LEU . 8.1 m-85 -136.46 114.38 11.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.742 HD12 ' CE1' ' A' ' 51' ' ' TYR . 72.2 mt -109.86 132.0 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.47 HD21 ' O ' ' A' ' 114' ' ' ALA . 30.4 tp -108.38 139.02 43.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.457 ' CB ' ' CZ ' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -140.52 126.92 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -102.47 143.99 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.233 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.518 ' N ' ' C ' ' A' ' 45' ' ' PRO . 28.2 t70 54.28 76.06 0.56 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.518 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.2 Cg_endo -75.0 170.49 71.71 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.973 0.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.33 95.97 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.651 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 5.7 m-85 -142.34 163.23 33.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.077 HD12 HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -133.76 111.1 10.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.587 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 63.6 m80 -102.76 144.7 30.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -136.48 122.43 20.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.742 ' CE1' HD12 ' A' ' 40' ' ' ILE . 12.9 m-85 -109.86 158.76 17.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 9.0 t70 -68.4 140.16 92.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.515 1.798 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.417 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -44.44 -30.08 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.25 142.13 4.28 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -169.77 -176.99 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -120.8 -63.54 1.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -93.69 162.29 27.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.4 Cg_endo -74.96 128.17 11.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -47.32 -30.82 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 178.78 -162.29 29.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.587 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -156.22 152.25 27.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.077 HD12 HD12 ' A' ' 48' ' ' LEU . 13.6 mt -117.36 115.71 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.651 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 6.4 t-160 -64.05 128.74 37.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.616 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.407 ' HA ' ' SG ' ' A' ' 68' ' ' CYS . 25.9 mt -106.03 16.6 24.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.558 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -70.94 87.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.73 20.33 66.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 65' ' ' LEU . 19.9 p -61.25 176.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.6 t -135.07 140.09 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.954 HG11 HG23 ' A' ' 112' ' ' ILE . 25.6 t -110.58 138.92 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -158.23 168.74 26.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.46 162.43 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.706 HG13 ' CA ' ' A' ' 88' ' ' PHE . 14.0 m -90.38 -167.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -152.3 22.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.1 m -40.11 -70.08 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 174.03 143.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.0 t -177.46 81.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -178.09 -64.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.88 -40.86 1.25 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.19 139.6 10.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -168.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.68 116.46 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -152.44 -50.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.282 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -148.09 129.75 15.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.417 ' HG3' ' NE2' ' A' ' 101' ' ' GLN . 6.8 mt-10 -74.12 -147.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -85.11 114.29 22.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.637 HD12 HG21 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -123.52 170.48 10.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.706 ' CA ' HG13 ' A' ' 73' ' ' VAL . 19.4 p90 -156.7 148.84 23.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.544 ' OE1' HD11 ' A' ' 91' ' ' ILE . 3.9 tt0 -99.87 136.76 39.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.792 ' CD1' HD13 ' A' ' 115' ' ' ILE . 75.7 mt -130.03 116.91 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.544 HD11 ' OE1' ' A' ' 89' ' ' GLU . 2.4 mt -95.55 144.11 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.477 HG21 ' CG2' ' A' ' 63' ' ' ILE . 36.9 p -106.46 -172.2 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.41 1.069 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 66' ' ' ARG . . . -72.73 -7.7 51.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.815 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -105.62 2.14 27.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.504 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.3 mt-10 77.41 4.49 3.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.815 HG23 ' HB3' ' A' ' 94' ' ' ASP . 48.9 t -66.11 128.93 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 6.6 m-70 -100.91 144.3 30.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.607 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.637 ' CE1' HG12 ' A' ' 96' ' ' VAL . 79.0 m-85 -135.6 127.39 29.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -105.86 109.02 20.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.668 HD22 ' N ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -116.3 132.6 56.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.577 ' HG3' HD23 ' A' ' 87' ' ' LEU . 3.6 tt0 -97.35 131.01 44.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.781 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -103.24 124.65 49.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -39.67 -62.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.4 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 51.4 p -99.27 162.81 20.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -74.96 -18.27 18.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.6 ttpp -79.0 -28.42 43.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.781 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 2.4 tp10 -73.08 -41.47 64.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 110.258 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.731 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.7 tmm_? -46.16 -49.83 16.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.496 ' CG2' ' HD2' ' A' ' 113' ' ' LYS . 2.5 m -68.11 -63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 109' ' ' THR . 8.4 mt-10 -35.27 -57.74 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.671 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 3.0 m95 -49.8 -57.8 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 107.979 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.954 HG23 HG11 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -46.49 -63.82 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.556 ' N ' HG22 ' A' ' 112' ' ' ILE . 5.2 mtpt -50.19 -37.13 33.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -58.14 -51.93 67.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.792 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.6 mt -57.02 -52.31 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 117' ' ' MET . 38.6 mt-30 -49.43 -62.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.438 ' HG2' ' N ' ' A' ' 118' ' ' ALA . 0.5 OUTLIER -36.89 -48.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -68.87 -53.75 19.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 60.4 p -46.85 -48.77 20.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.479 ' C ' HG22 ' A' ' 121' ' ' THR . 0.2 OUTLIER -58.0 -48.21 80.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 110.303 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.517 ' OG1' ' N ' ' A' ' 122' ' ' GLY . 3.8 t 45.11 -172.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.42 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.517 ' N ' ' OG1' ' A' ' 121' ' ' THR . . . -137.64 79.81 0.3 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.02 78.49 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.11 90.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -178.47 -161.88 27.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -176.45 2.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.46 1.768 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 27.8 m -129.09 81.45 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.8 m 53.7 99.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.962 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.127 . . . . 0.0 110.998 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.05 135.47 48.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -158.03 90.02 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.48 65.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 p -69.14 158.37 35.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.964 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.0 m 47.62 89.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.024 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.9 -147.54 6.06 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.509 HG22 ' H ' ' A' ' 9' ' ' ILE . 7.8 p -142.17 170.88 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 0.798 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.509 ' H ' HG22 ' A' ' 8' ' ' VAL . 3.4 mm -47.86 150.52 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -130.51 144.49 51.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.518 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . 15.3 mttt -90.78 -169.82 2.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -95.66 -38.19 10.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.338 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.568 ' HG3' ' CE1' ' A' ' 14' ' ' PHE . 1.5 pm0 -66.44 -11.26 50.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CE1' ' HG3' ' A' ' 13' ' ' GLU . 10.8 m-85 -112.82 22.67 14.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.5 mmm-85 -88.88 40.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -137.19 -137.22 3.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.434 HG22 ' H ' ' A' ' 18' ' ' ILE . 1.8 p -143.53 170.47 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.512 ' C ' HD13 ' A' ' 19' ' ' ILE . 32.0 mt -105.06 166.03 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.908 HD12 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -140.85 -44.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -133.8 145.98 50.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.613 ' HG2' HG23 ' A' ' 40' ' ' ILE . 32.2 mt-30 -152.61 145.01 24.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.41 -158.33 31.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 37' ' ' ARG . 93.5 m -124.75 140.26 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.473 ' C ' HD22 ' A' ' 25' ' ' LEU . 78.2 mt -131.71 166.8 20.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.816 HD11 HG22 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -104.29 99.48 9.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -85.39 112.33 20.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -58.56 159.38 6.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.06 62.33 0.51 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -102.85 176.82 5.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 109.574 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.87 -33.65 57.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -104.08 -91.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 33' ' ' ASN . 6.3 tmtm? -148.9 -57.59 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 32' ' ' LYS . 2.7 t30 -39.69 146.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -75.1 -176.66 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 107.982 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.17 120.59 13.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.816 HG22 HD11 ' A' ' 25' ' ' LEU . 39.5 t -64.42 141.69 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 1.0 OUTLIER -153.13 148.2 26.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -85.34 128.31 34.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CD2' HD11 ' A' ' 48' ' ' LEU . 9.9 m-85 -124.79 121.36 34.37 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.761 ' O ' HD22 ' A' ' 48' ' ' LEU . 86.0 mt -113.75 133.76 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.9 tp -108.02 138.18 44.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 45' ' ' PRO . 14.9 mtt85 -138.74 121.06 15.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.908 ' HG2' HD12 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -100.32 143.31 30.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.514 ' N ' ' C ' ' A' ' 45' ' ' PRO . 27.8 t70 51.06 76.51 0.54 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.514 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.05 169.62 74.06 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.954 0.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.13 95.71 7.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.537 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 6.4 m-85 -144.07 146.58 32.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.05 HD12 HD12 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -120.34 110.54 16.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.999 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 72.4 m80 -108.35 144.91 35.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.578 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 4.6 p90 -128.95 144.51 51.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.717 ' CE1' HD12 ' A' ' 40' ' ' ILE . 0.8 OUTLIER -131.35 166.19 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.427 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 3.6 t70 -70.42 132.55 87.62 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.6 5.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.771 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.427 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -53.75 -26.75 24.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' N ' ' OD2' ' A' ' 52' ' ' ASP . . . 128.75 114.1 1.75 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -159.02 -174.24 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -123.71 -65.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -73.85 135.64 77.42 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.577 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.3 Cg_endo -74.98 130.74 13.58 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.593 ' H ' HD22 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -39.75 -45.8 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.454 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . -170.39 -171.35 35.71 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.999 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -140.17 170.93 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.05 HD12 HD12 ' A' ' 48' ' ' LEU . 14.7 mt -132.65 117.4 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 3.7 t-160 -61.64 127.79 33.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.642 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 47' ' ' TYR . 21.9 mt -108.47 7.72 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.43 -61.31 2.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.14 36.08 2.81 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.8 p -74.29 179.82 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.9 t -146.31 149.99 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.886 HG11 HG23 ' A' ' 112' ' ' ILE . 42.4 t -116.63 142.5 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.58 168.59 26.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.88 154.99 26.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.009 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.601 HG23 ' H ' ' A' ' 75' ' ' SER . 30.9 m -98.18 -171.85 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -100.89 14.28 32.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.601 ' H ' HG23 ' A' ' 73' ' ' VAL . 1.5 t -98.61 126.78 44.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -169.81 169.49 8.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.53 98.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -84.28 101.47 11.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.43 -175.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -56.45 13.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 110.281 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -74.17 142.01 45.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.8 t -90.71 117.35 29.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -133.14 -59.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.328 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -142.04 125.09 16.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -87.24 -156.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 105' ' ' PRO . 53.3 m-80 -68.3 118.77 11.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.553 HD22 ' HB2' ' A' ' 101' ' ' GLN . 0.5 OUTLIER -114.78 175.22 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 100' ' ' LEU . 24.1 p90 -169.74 152.25 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.59 ' OE1' ' CD1' ' A' ' 99' ' ' PHE . 0.7 OUTLIER -103.55 136.95 42.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.658 ' CD1' HD13 ' A' ' 115' ' ' ILE . 60.5 mt -126.15 103.92 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -80.26 137.94 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.593 HG22 ' CG2' ' A' ' 63' ' ' ILE . 48.2 p -97.5 -165.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.48 -19.96 51.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.881 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.7 OUTLIER -94.26 0.9 55.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.8 mt-10 83.82 -0.54 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.881 HG23 ' HB3' ' A' ' 94' ' ' ASP . 44.5 t -59.47 132.53 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 3.6 m-70 -107.49 141.66 38.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.552 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -133.05 128.78 37.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.59 ' CD1' ' OE1' ' A' ' 89' ' ' GLU . 71.7 m-85 -103.8 107.61 18.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.3 mm? -108.51 170.18 8.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.553 ' HB2' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -136.38 133.65 36.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.414 ' HB1' ' HG2' ' A' ' 107' ' ' GLU . . . -105.86 149.12 26.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.16 -66.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.6 p -87.87 162.93 39.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.417 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.417 ' HA ' ' ND2' ' A' ' 86' ' ' ASN . 18.2 Cg_endo -75.01 -22.15 15.08 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.5 1.789 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.36 -35.61 54.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.414 ' HG2' ' HB1' ' A' ' 102' ' ' ALA . 5.3 tt0 -60.64 -56.66 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.726 ' O ' HD12 ' A' ' 112' ' ' ILE . 6.2 ttp180 -38.98 -48.49 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -68.91 -53.02 23.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -46.51 -54.27 9.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.536 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 7.0 m95 -49.01 -61.54 2.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 107.971 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.886 HG23 HG11 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -39.68 -64.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.508 ' N ' HG22 ' A' ' 112' ' ' ILE . 27.5 mtmt -54.23 -42.77 70.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -53.57 -58.48 7.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.658 HD13 ' CD1' ' A' ' 90' ' ' ILE . 4.7 mt -54.25 -44.96 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.612 ' HG2' HG21 ' A' ' 70' ' ' VAL . 3.8 mt-30 -55.67 -59.61 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.527 ' SD ' HG21 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -40.83 -44.18 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 0.0 110.985 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.445 ' HA ' ' CB ' ' A' ' 43' ' ' GLU . . . -70.99 -68.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 118' ' ' ALA . 55.0 p -36.37 -58.12 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.412 ' HD2' ' O ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -69.91 -37.72 76.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER 38.43 73.97 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.387 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -84.72 52.66 4.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -76.12 -74.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.8 t -95.82 147.77 23.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.87 159.53 15.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 68.62 5.69 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 27.2 p -65.61 153.75 40.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.2 m -117.03 100.39 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 p -141.34 -58.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 m 50.29 83.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.43 68.72 2.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -177.68 121.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.967 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.53 134.7 51.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.65 56.34 0.27 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.8 t -129.74 152.28 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.523 ' HA ' HD13 ' A' ' 9' ' ' ILE . 4.1 mm -44.19 153.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.509 HD13 ' C ' ' A' ' 10' ' ' LEU . 1.2 tm? -125.94 106.81 9.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 8.0 mtmm -54.91 -170.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -103.69 -44.98 4.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' HG3' ' CE1' ' A' ' 14' ' ' PHE . 3.1 pt-20 -61.55 -14.58 30.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 13' ' ' GLU . 21.6 m-85 -113.51 29.1 8.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.499 ' CD ' HD12 ' A' ' 10' ' ' LEU . 5.3 mmm180 -88.45 -43.87 11.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.37 -160.76 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.533 HG22 ' H ' ' A' ' 18' ' ' ILE . 7.4 p -126.7 171.49 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.825 HG21 ' CD ' ' A' ' 21' ' ' GLN . 50.9 mm -90.6 143.64 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.431 HG21 ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -112.85 -35.19 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -155.69 148.93 24.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.825 ' CD ' HG21 ' A' ' 18' ' ' ILE . 46.0 mt-30 -145.66 168.54 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.23 -174.68 28.74 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.2 m -108.92 134.71 51.23 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.531 HD11 ' CE2' ' A' ' 111' ' ' TRP . 32.9 mt -130.39 158.94 38.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.791 ' CD1' HG22 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -94.45 99.89 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HE2' ' CD1' ' A' ' 98' ' ' TYR . 20.5 tttt -86.08 98.07 10.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.99 160.16 21.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.12 -151.47 2.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -95.79 -65.91 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 0.764 . . . . 0.0 109.618 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -43.38 78.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.45 -53.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt 49.95 -172.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -104.98 129.6 53.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -45.28 123.7 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 107.981 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 5.8 mtpt -126.18 162.55 25.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.791 HG22 ' CD1' ' A' ' 25' ' ' LEU . 36.6 t -107.58 142.29 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.69 150.44 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.554 ' HE2' HD11 ' A' ' 40' ' ' ILE . 3.2 tttm -80.39 142.18 34.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.651 ' CD2' HD11 ' A' ' 48' ' ' LEU . 12.1 m-85 -136.34 122.84 20.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.776 HD12 ' CE1' ' A' ' 51' ' ' TYR . 69.1 mt -119.46 130.17 74.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.5 tp -107.8 136.84 46.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.401 ' HA ' ' CD1' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -139.74 124.84 18.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -100.33 142.67 31.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.52 ' N ' ' C ' ' A' ' 45' ' ' PRO . 4.8 m-20 54.36 76.11 0.55 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.52 ' C ' ' N ' ' A' ' 44' ' ' ASP . 18.3 Cg_endo -75.03 168.99 75.78 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.976 -2.51 . . . . 0.0 110.999 0.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.41 100.9 12.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.438 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 9.3 m-85 -149.8 160.45 43.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.083 HD12 HD12 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -129.92 110.37 11.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.672 ' CD2' ' HB2' ' A' ' 62' ' ' ALA . 71.7 m80 -105.42 139.82 39.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 2.0 p90 -125.79 150.2 47.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.776 ' CE1' HD12 ' A' ' 40' ' ' ILE . 1.2 m-85 -136.0 163.71 29.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.664 ' OD2' ' HB3' ' A' ' 54' ' ' ALA . 5.9 t70 -74.75 140.27 74.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -40.4 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.525 1.803 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.664 ' HB3' ' OD2' ' A' ' 52' ' ' ASP . . . -46.71 -43.19 17.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.29 131.22 2.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -161.26 -161.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -128.5 -62.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.85 152.3 40.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.575 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . 18.5 Cg_endo -75.03 134.37 17.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.573 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -40.07 -46.44 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.55 ' C ' ' CE1' ' A' ' 50' ' ' TYR . . . -171.48 -163.24 25.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.672 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . . . -143.93 162.75 35.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.083 HD12 HD12 ' A' ' 48' ' ' LEU . 13.2 mt -124.45 116.87 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' A' ' 66' ' ' ARG . 5.1 t-160 -58.59 132.11 52.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.8 mt -115.03 -1.01 13.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.553 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -38.53 -64.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -129.2 35.37 2.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.9 p -67.6 171.58 6.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.05 146.06 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.142 HG11 HG23 ' A' ' 112' ' ' ILE . 39.7 t -113.12 140.67 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.416 HG22 ' HB3' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -157.52 172.99 17.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.45 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.97 147.74 43.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.832 HG22 ' O ' ' A' ' 87' ' ' LEU . 33.2 m -78.14 -176.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -104.97 -38.1 6.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.8 p 44.45 70.86 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 77' ' ' SER . 9.8 p30 -53.02 150.21 5.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 1.4 m 166.93 108.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.064 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -82.93 110.14 17.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.83 -132.08 11.59 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.54 89.26 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.58 165.15 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.18 119.36 39.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -154.64 -64.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -145.22 127.21 15.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -64.35 -147.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -92.85 111.72 23.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.832 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -126.4 174.26 8.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.624 ' HA ' HG13 ' A' ' 73' ' ' VAL . 19.0 p90 -153.89 148.4 26.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.416 ' HB3' HG22 ' A' ' 71' ' ' THR . 40.2 tt0 -100.24 133.33 44.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.653 ' CD1' HD13 ' A' ' 115' ' ' ILE . 89.2 mt -124.96 106.03 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.401 HG12 ' ND1' ' A' ' 97' ' ' HIS . 2.6 mt -83.76 142.49 13.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.614 HG21 HG23 ' A' ' 63' ' ' ILE . 31.7 p -106.38 -179.09 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.451 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.98 -12.94 58.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.803 ' HB3' HG23 ' A' ' 96' ' ' VAL . 0.6 OUTLIER -98.06 0.21 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.588 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.5 mt-10 77.73 4.46 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.803 HG23 ' HB3' ' A' ' 94' ' ' ASP . 45.2 t -67.53 130.14 32.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 3.2 m-70 -103.82 147.14 27.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.563 ' CD1' ' HE2' ' A' ' 26' ' ' LYS . 38.3 m-85 -141.57 123.77 15.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -98.89 107.2 19.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 1.6 mm? -108.59 128.59 54.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.573 ' HB2' HD22 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -93.97 116.04 28.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.448 ' HB1' ' HB3' ' A' ' 107' ' ' GLU . . . -83.42 142.03 31.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.36 -62.36 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.4 p -106.62 167.53 9.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -8.09 19.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -88.57 -35.06 17.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.448 ' HB3' ' HB1' ' A' ' 102' ' ' ALA . 2.3 tp10 -68.13 -44.19 76.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.586 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -50.15 -46.6 54.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 m -69.34 -42.31 75.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.399 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 114' ' ' ALA . 5.2 mt-10 -59.39 -56.39 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.687 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 9.7 m95 -42.28 -61.88 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 108.061 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.142 HG23 HG11 ' A' ' 70' ' ' VAL . 2.4 mt -40.16 -68.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.486 ' N ' HG22 ' A' ' 112' ' ' ILE . 1.3 mtmt -51.33 -31.81 23.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 111' ' ' TRP . . . -65.51 -58.14 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.653 HD13 ' CD1' ' A' ' 90' ' ' ILE . 3.5 mt -59.28 -39.02 77.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.898 ' HG2' HG21 ' A' ' 70' ' ' VAL . 3.1 mm100 -61.74 -49.18 77.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.487 ' CE ' ' HA ' ' A' ' 114' ' ' ALA . 0.1 OUTLIER -49.47 -43.87 45.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 43' ' ' GLU . . . -71.67 -57.56 4.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 91.6 p -51.84 -31.12 26.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 116' ' ' GLN . 38.0 mmt-85 -59.0 -31.97 69.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.0 p 45.24 -167.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -127.91 17.6 6.01 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 79.22 150.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.76 88.98 3.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 170.0 -162.96 36.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -46.98 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.04 143.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 48.84 89.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 179.996 . . . . . . . . 0 0 . 1 stop_ save_