data_1u34_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 1u34 _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 ' 58' ' ' THR . . . . . . . . . . . . . 58.6 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.488 ' C ' ' CD1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -79.12 167.74 20.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.2 m -66.01 148.72 51.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 108.28 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -114.71 163.3 15.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.369 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' A' ' 73' ' ' GLN . 2.5 m -62.68 126.18 26.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -158.42 159.4 35.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 0.0 110.449 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 pp -132.52 126.36 32.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.364 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.441 ' C ' ' N ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -95.48 -160.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' ASP . 17.0 mp0 -38.83 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.39 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.441 ' N ' ' C ' ' A' ' 65' ' ' ASP . 5.2 mp -89.46 102.7 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -35.53 -42.52 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.419 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 1.8 m -46.29 109.79 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.754 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.2 p -82.61 143.22 31.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 108.344 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.422 ' CZ2' HG23 ' A' ' 113' ' ' VAL . 21.2 m95 -110.67 141.78 24.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.036 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.98 143.36 29.04 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.545 1.813 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -36.17 150.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.395 1.059 . . . . 0.0 110.279 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -143.0 -171.52 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.31 153.52 37.7 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 147.35 33.63 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.76 5.78 70.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.79 -157.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.9 132.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.491 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 40.2 t -103.52 59.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.62 143.32 26.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.343 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.494 ' CB ' ' CG2' ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -148.61 102.39 3.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.4 125.62 31.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -100.88 154.13 18.92 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.52 117.08 28.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 108.256 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.1 mt -59.06 165.16 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.237 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -77.8 1.4 20.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.66 -2.73 40.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.14 49.93 4.78 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.2 p -140.44 156.2 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 0.81 . . . . 0.0 110.36 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -82.84 -171.46 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.604 1.19 . . . . 0.0 107.977 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.35 -168.23 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -58.64 7.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -174.01 137.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.494 ' CG2' ' CB ' ' A' ' 99' ' ' ALA . 2.3 p . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.485 ' CD2' ' O ' ' A' ' 74' ' ' SER . 0.2 OUTLIER -119.0 174.08 6.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 96.8 m -88.5 150.16 23.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.308 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -106.47 160.65 15.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 m -71.51 122.11 19.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.399 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 m -143.39 152.93 42.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.427 1.08 . . . . 0.0 110.36 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 pp -116.54 134.69 54.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -96.86 -178.01 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -64.83 -11.4 36.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.274 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' GLY . 4.8 mt -102.49 38.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 34.79 37.9 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.421 ' HB ' ' NE1' ' A' ' 71' ' ' TRP . 1.1 p -88.33 92.89 9.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 110.394 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.12 93.51 8.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.072 . . . . 0.0 108.254 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.421 ' NE1' ' HB ' ' A' ' 69' ' ' THR . 68.7 m95 -88.67 113.41 55.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.008 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.471 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.03 81.5 2.21 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.812 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER 53.33 169.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.485 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 64.7 m -169.96 -173.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.929 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.03 157.42 52.96 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.49 31.51 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.584 1.834 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 57.91 49.36 75.41 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.578 1.174 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.415 ' O ' ' CD2' ' A' ' 79' ' ' LEU . . . -125.72 -161.39 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 0.796 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.415 ' CD2' ' O ' ' A' ' 78' ' ' ALA . 1.1 mm? -142.71 110.44 5.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 54.0 t -110.16 49.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.559 ' HB3' ' CD1' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -102.84 161.97 13.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 82' ' ' ARG . 3.7 ptp180 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.559 ' CD1' ' HB3' ' A' ' 81' ' ' GLU . 1.2 t80 -134.34 109.09 8.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.503 ' HD3' ' CE3' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -128.89 134.6 48.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -120.09 153.02 36.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -112.92 113.5 25.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 108.282 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.04 171.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -78.23 1.29 22.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -98.15 -2.66 39.41 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.48 31.83 32.54 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 64.6 p -113.35 174.1 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 0.798 . . . . 0.0 110.371 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.503 ' CE3' ' HD3' ' A' ' 101' ' ' ARG . 6.9 m95 -100.98 -175.63 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -93.85 -156.44 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.6 p -111.35 -45.35 3.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 0.0 110.024 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.74 132.76 33.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.484 ' CG1' ' HG3' ' A' ' 101' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.5 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.53 164.21 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' SER . 6.5 m -53.08 161.6 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -108.03 170.81 7.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.479 ' O ' ' CB ' ' A' ' 63' ' ' THR . 6.4 t -102.23 136.22 42.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.376 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.479 ' CB ' ' O ' ' A' ' 62' ' ' THR . 0.6 OUTLIER 168.18 160.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.486 ' C ' ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -120.09 141.4 49.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.85 35.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.358 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.473 ' NE2' ' CZ ' ' A' ' 101' ' ' ARG . 2.9 mp0 -123.9 -77.25 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -140.14 37.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.86 -36.83 3.31 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.457 1.098 . . . . 0.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.3 m -55.65 112.94 1.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.747 . . . . 0.0 110.437 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.56 139.72 37.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 108.321 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.411 ' CD2' ' HD3' ' A' ' 101' ' ' ARG . 1.0 OUTLIER -117.53 115.6 37.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 108.024 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.0 Cg_endo -74.96 151.27 39.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.773 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 72' ' ' PRO . 7.2 mt-30 -36.82 152.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.262 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' CYS . 0.7 OUTLIER -156.4 168.3 27.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.31 154.45 90.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.12 37.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.568 1.825 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.89 59.59 9.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.413 1.071 . . . . 0.0 110.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.34 -165.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 0.721 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.79 104.23 5.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.391 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.53 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 22.9 t -96.0 61.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.464 ' CB ' ' HA ' ' A' ' 100' ' ' TYR . 14.6 pt-20 -98.49 156.59 16.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 3.9 ptp180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.443 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -139.98 145.21 37.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.473 ' CZ ' ' NE2' ' A' ' 66' ' ' GLN . 1.9 mtp85 -136.24 80.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.355 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.29 146.98 53.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.31 136.1 50.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.424 1.077 . . . . 0.0 108.265 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.5 mt -74.09 157.81 35.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -76.92 1.13 18.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.07 -1.61 54.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.07 43.69 8.02 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.0 p -129.99 170.38 14.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 0.772 . . . . 0.0 110.469 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -90.07 -171.35 3.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 107.974 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.36 -142.21 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.08 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 m -94.07 -80.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.938 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.501 ' O ' ' CG1' ' A' ' 113' ' ' VAL . 9.2 ptt180 -158.11 47.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 112' ' ' ARG . 7.4 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.2 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -117.53 169.52 9.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.074 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.7 m -58.61 133.75 56.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 108.284 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -85.99 -172.06 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.9 t -100.77 134.85 43.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.46 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 t -174.69 151.59 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.362 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 pp -120.45 117.33 27.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -84.34 -151.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -56.87 -16.66 7.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.473 ' HB ' ' CG1' ' A' ' 113' ' ' VAL . 1.9 mm -99.05 105.37 17.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -33.26 -49.87 0.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.566 1.166 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.484 ' O ' ' CG2' ' A' ' 69' ' ' THR . 0.6 OUTLIER -35.98 98.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 110.404 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' GLY . 0.9 OUTLIER -82.53 143.76 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.367 1.042 . . . . 0.0 108.332 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.582 ' CZ3' HG12 ' A' ' 80' ' ' VAL . 1.0 OUTLIER -115.85 109.94 44.68 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 108.004 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 82.31 2.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.474 1.776 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 72' ' ' PRO . 5.3 tm0? 59.2 148.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.54 168.37 26.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.026 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.58 151.06 55.2 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 77' ' ' GLY . 18.3 Cg_endo -74.95 158.0 42.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.444 1.76 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 76' ' ' PRO . . . 35.61 45.45 0.74 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.35 2.89 14.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 109.251 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.415 ' CD2' ' HG3' ' A' ' 102' ' ' GLU . 3.0 mm? 39.96 89.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.582 HG12 ' CZ3' ' A' ' 71' ' ' TRP . 76.7 t -84.9 61.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.367 1.042 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -78.05 167.52 21.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.468 ' HB3' ' CG2' ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.428 ' N ' HG21 ' A' ' 113' ' ' VAL . 8.9 m-85 -127.67 129.33 46.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.571 ' HD3' ' CH2' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -126.77 82.87 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.351 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.415 ' HG3' ' CD2' ' A' ' 79' ' ' LEU . 32.8 tt0 -72.26 146.36 47.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.362 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.598 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -127.18 144.06 51.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.285 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 mt -89.92 156.47 18.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -76.39 0.6 19.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.67 -0.99 53.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.11 56.97 2.91 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.459 1.1 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 76.7 p -147.83 164.15 34.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 0.762 . . . . 0.0 110.444 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.598 ' CZ3' ' SG ' ' A' ' 103' ' ' CYS . 4.9 m95 -92.74 -179.78 5.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 108.018 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.04 -154.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -76.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.25 143.89 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.473 ' CG1' ' HB ' ' A' ' 67' ' ' ILE . 7.3 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -105.55 152.95 22.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 86.0 m -42.47 148.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.29 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -104.12 172.6 6.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.5 t -88.61 130.56 35.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.42 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 t -174.73 164.64 3.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.4 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 2.0 pp -126.33 119.56 27.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 67' ' ' ILE . 4.3 p-10 -90.37 -169.36 2.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.232 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' ASP . 49.0 tt0 -37.39 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.469 ' O ' ' C ' ' A' ' 68' ' ' GLY . 4.2 mp -91.05 103.61 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -31.75 -39.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 67' ' ' ILE . 1.4 m -43.04 94.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' GLY . 8.0 t -82.93 154.73 24.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 108.259 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.584 ' CZ2' ' HG3' ' A' ' 101' ' ' ARG . 0.7 OUTLIER -126.25 118.38 23.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 108.005 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.97 72.58 4.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.962 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 72' ' ' PRO . 5.7 tm0? 59.86 146.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.326 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.54 ' OG ' ' CZ2' ' A' ' 109' ' ' TRP . 1.2 m -144.47 172.34 13.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.442 ' HB1' ' CB ' ' A' ' 78' ' ' ALA . . . -91.66 150.89 41.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 147.48 34.22 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.577 1.83 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 38.64 39.04 0.76 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.442 ' CB ' ' HB1' ' A' ' 75' ' ' ALA . . . -107.88 2.08 23.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 54.71 98.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.58 HG12 ' CZ3' ' A' ' 71' ' ' TRP . 53.4 t -95.09 60.72 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.588 ' CG ' ' CD2' ' A' ' 100' ' ' TYR . 0.8 OUTLIER -79.47 144.36 34.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.173 . . . . 0.0 110.245 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 99' ' ' ALA . 5.1 ptp180 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.522 ' C ' ' CD1' ' A' ' 100' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.588 ' CD2' ' CG ' ' A' ' 81' ' ' GLU . 53.8 m-85 -153.34 136.36 15.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.994 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -140.51 38.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -35.31 126.29 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.605 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 1.0 OUTLIER -90.29 148.9 22.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 108.276 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.4 mp -86.43 150.35 24.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.081 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -77.46 1.65 18.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -96.82 2.69 52.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 79.19 45.2 9.05 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.5 p -134.81 157.13 47.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.741 . . . . 0.0 110.384 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.605 ' CZ3' ' SG ' ' A' ' 103' ' ' CYS . 0.4 OUTLIER -77.82 -169.39 1.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 107.975 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.57 -167.38 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.227 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 p -87.21 -43.02 12.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.986 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -168.59 158.34 9.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.452 ' HB ' ' CG ' ' A' ' 101' ' ' ARG . 9.9 p . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.2 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.473 ' CB ' ' HD3' ' A' ' 76' ' ' PRO . 10.3 p90 -121.94 170.95 9.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' TYR . 8.6 m -40.39 146.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 108.296 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -112.28 171.04 7.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 8.8 t -88.2 129.72 35.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 110.38 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -171.5 158.9 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.364 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 pp -100.58 147.14 26.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.43 ' OD2' ' NH1' ' A' ' 101' ' ' ARG . 1.5 t70 -105.52 -152.85 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.397 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.47 -7.18 59.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.485 ' CD1' HG13 ' A' ' 113' ' ' VAL . 3.6 mt -104.13 37.6 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.347 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 31.9 45.87 0.19 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.468 HG21 ' CD1' ' A' ' 71' ' ' TRP . 5.2 t -124.68 114.92 19.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.28 104.25 14.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.556 1.16 . . . . 0.0 108.303 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.586 ' CE3' HG11 ' A' ' 80' ' ' VAL . 67.6 m95 -79.23 128.63 75.13 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 107.992 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.01 74.9 3.86 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.406 ' O ' ' OG ' ' A' ' 74' ' ' SER . 4.7 mt-30 54.2 167.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.527 ' OG ' ' CZ2' ' A' ' 109' ' ' TRP . 1.7 m -169.2 174.65 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.28 147.49 33.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 59' ' ' TYR . 18.4 Cg_endo -75.01 154.16 42.24 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.431 1.753 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 52.77 19.47 6.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.155 . . . . 0.0 111.059 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.04 -154.62 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 0.782 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.02 96.53 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.586 HG11 ' CE3' ' A' ' 71' ' ' TRP . 2.3 t -90.35 62.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 100' ' ' TYR . 0.4 OUTLIER -95.16 140.79 29.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 110.277 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 35.3 p90 177.03 130.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.484 ' HG3' ' CB ' ' A' ' 113' ' ' VAL . 0.0 OUTLIER -140.26 66.59 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.248 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' ARG . 1.1 pm0 -37.25 122.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -86.27 121.77 29.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 108.298 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.3 mt -56.89 163.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.86 0.7 17.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.08 -2.68 42.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.94 36.86 17.45 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.403 ' O ' ' SG ' ' A' ' 103' ' ' CYS . 26.0 p -120.72 168.0 11.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 110.417 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.527 ' CZ2' ' OG ' ' A' ' 74' ' ' SER . 76.0 m95 -89.19 -172.03 3.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 108.049 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.39 -141.95 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.0 -46.19 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 110.001 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.48 117.05 32.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.485 HG13 ' CD1' ' A' ' 67' ' ' ILE . 10.9 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 54.1 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 75' ' ' ALA . 87.5 t80 -172.65 143.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' SER . 4.5 m -74.85 131.23 40.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 108.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -113.9 164.25 14.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.465 ' CG2' ' SG ' ' A' ' 70' ' ' CYS . 71.8 m -69.62 118.26 12.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 110.372 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.67 158.46 44.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.178 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 pp -129.83 118.52 21.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.442 1.088 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -93.01 -152.94 0.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.605 1.191 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -47.64 -23.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.505 ' CG2' ' HB ' ' A' ' 69' ' ' THR . 3.2 mm -96.08 104.06 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -34.13 -49.21 0.62 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.505 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -38.77 112.0 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 0.738 . . . . 0.0 110.394 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.465 ' SG ' ' CG2' ' A' ' 62' ' ' THR . 0.1 OUTLIER -89.38 122.96 33.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.482 ' CZ2' HG22 ' A' ' 113' ' ' VAL . 58.0 m95 -92.46 141.9 25.3 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 108.017 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 149.94 37.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.57 1.826 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.453 ' N ' ' OG1' ' A' ' 62' ' ' THR . 0.0 OUTLIER -49.87 163.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.322 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.53 ' O ' ' CE1' ' A' ' 59' ' ' TYR . 16.6 m -165.92 -174.49 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.573 ' HA ' ' CD1' ' A' ' 59' ' ' TYR . . . -101.41 168.72 8.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.597 1.186 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HB3' ' N ' ' A' ' 107' ' ' GLY . 18.1 Cg_endo -75.06 147.27 33.48 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.0 29.82 76.39 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.444 1.09 . . . . 0.0 111.09 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.75 -148.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 0.727 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -171.76 83.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.613 1.196 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.472 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 43.9 t -100.3 60.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.61 134.42 38.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 13.9 ptp180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.34 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 82' ' ' ARG . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.512 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -101.46 140.55 35.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 111.095 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.475 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -148.67 123.04 9.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -95.93 153.67 17.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.83 122.08 46.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 108.302 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 mt -62.96 177.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.355 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.88 1.5 46.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.634 1.209 . . . . 0.0 110.231 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.52 -0.12 43.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.421 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 80.79 35.79 24.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.2 p -118.5 168.29 10.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 0.781 . . . . 0.0 110.452 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -91.36 -173.54 3.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 108.011 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.55 -168.5 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 m -84.12 -59.98 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.981 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.89 131.33 32.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.482 HG22 ' CZ2' ' A' ' 71' ' ' TRP . 3.0 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.546 0.212 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.468 ' O ' ' C ' ' A' ' 60' ' ' CYS . 18.1 p90 -76.73 171.2 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 59' ' ' TYR . 15.1 m -36.74 133.89 0.53 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 108.264 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.494 ' ND2' ' H ' ' A' ' 62' ' ' THR . 3.9 t30 -101.03 -173.25 2.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.071 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.494 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 10.9 t -97.94 136.0 38.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 t -176.38 158.92 1.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.182 . . . . 0.0 110.444 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 pp -110.25 175.51 5.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD2' ' NH2' ' A' ' 101' ' ' ARG . 2.2 t0 -121.57 -160.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -84.95 1.02 49.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' GLY . 0.8 OUTLIER -115.55 38.34 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 35.47 49.35 0.94 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.526 ' HB ' ' CE2' ' A' ' 71' ' ' TRP . 0.6 OUTLIER -114.25 85.55 2.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 110.413 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.0 t -72.19 118.46 15.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.278 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CZ3' HG13 ' A' ' 80' ' ' VAL . 54.0 m95 -111.43 121.18 40.91 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 108.042 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.1 Cg_endo -75.02 154.02 42.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.45 ' NE2' ' OD1' ' A' ' 61' ' ' ASN . 4.1 mt-30 -37.62 150.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.392 1.058 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -158.07 170.42 22.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.021 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.405 ' O ' ' SG ' ' A' ' 60' ' ' CYS . . . -78.2 154.56 79.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.411 ' HD3' ' CB ' ' A' ' 59' ' ' TYR . 18.2 Cg_endo -75.0 149.43 36.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.64 21.06 78.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.146 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.55 -161.62 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.66 107.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.377 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.559 HG13 ' CZ3' ' A' ' 71' ' ' TRP . 49.0 t -86.15 53.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.506 ' O ' ' CG ' ' A' ' 82' ' ' ARG . 6.2 mt-10 -78.73 146.37 33.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 99' ' ' ALA . 24.5 mtt-85 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.399 1.062 . . . . 0.0 110.279 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 82' ' ' ARG . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.435 ' CB ' ' O ' ' A' ' 99' ' ' ALA . 0.1 OUTLIER 166.93 59.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.44 ' NH2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -96.22 169.83 9.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.241 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -131.87 153.0 50.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.363 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.58 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -117.72 128.98 55.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.318 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.6 mt -70.18 163.92 25.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.429 1.081 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -80.83 1.39 30.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.233 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.57 -0.43 45.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.76 53.91 3.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 109' ' ' TRP . 0.6 OUTLIER -146.3 175.05 10.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.341 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.58 ' CZ3' ' SG ' ' A' ' 103' ' ' CYS . 89.4 m95 -108.64 -171.2 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 108.001 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.06 179.36 4.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.343 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.1 m -58.49 -50.37 73.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.092 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -160.42 155.82 25.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.428 1.08 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.2 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.501 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 7.9 p90 -130.76 146.56 52.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' SER . 5.8 m -50.26 131.35 23.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -105.65 165.29 11.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 52.4 m -64.75 119.96 11.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.0 m -143.61 136.09 27.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.77 165.27 30.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 66' ' ' GLN . 0.5 OUTLIER -169.42 -160.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' ASP . 1.6 mm-40 -36.59 -54.26 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.572 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -133.85 59.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.615 ' O ' ' CD1' ' A' ' 71' ' ' TRP . . . -99.08 -2.99 56.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.726 ' CG2' ' CZ2' ' A' ' 71' ' ' TRP . 3.0 t 38.49 28.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 68' ' ' GLY . 0.6 OUTLIER 50.02 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 108.272 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.726 ' CZ2' ' CG2' ' A' ' 69' ' ' THR . 88.4 m95 -98.61 110.5 57.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 108.0 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.1 Cg_endo -74.98 148.81 35.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -39.0 159.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' CYS . 1.1 m -164.75 -174.77 3.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.04 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.73 169.31 8.02 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 154.65 42.71 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.435 1.755 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 60.8 47.56 90.59 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.568 1.168 . . . . 0.0 111.12 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -126.86 125.05 40.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.08 85.72 7.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.486 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 41.2 t -75.26 59.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -91.69 141.82 28.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.588 ' O ' ' CD1' ' A' ' 100' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 99' ' ' ALA . 22.9 m-85 -143.23 139.42 30.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -136.01 127.52 28.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -110.65 145.92 37.11 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.3 OUTLIER -120.74 112.91 19.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.3 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.2 mt -56.88 178.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -83.39 1.39 41.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.83 1.63 40.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.58 23.02 61.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.0 p -105.4 151.37 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.466 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 101' ' ' ARG . 10.6 m95 -75.07 -171.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.93 -151.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.2 p -85.35 -71.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.93 150.31 49.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.584 HG23 ' CZ2' ' A' ' 71' ' ' TRP . 9.3 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.2 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CD2' ' O ' ' A' ' 74' ' ' SER . 0.8 OUTLIER -80.78 169.47 17.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.0 m -81.96 153.87 26.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 108.266 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -102.08 170.1 8.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.23 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.9 t -95.56 141.82 28.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -173.11 158.89 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.361 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 pp -96.15 162.58 13.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -110.58 -157.63 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.0 -10.97 59.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.321 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 68' ' ' GLY . 5.6 pt -101.69 38.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.341 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 33.23 45.64 0.3 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.546 1.154 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.42 ' O ' ' CD1' ' A' ' 71' ' ' TRP . 60.8 m -119.19 109.41 15.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.53 122.69 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 108.354 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.571 ' CE3' HG13 ' A' ' 80' ' ' VAL . 60.8 m95 -103.96 122.9 42.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -75.05 143.28 28.7 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.444 1.76 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.534 ' H ' ' NE2' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -38.06 152.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.584 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 11.4 m -151.28 -170.93 3.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.404 ' HA ' ' CE1' ' A' ' 59' ' ' TYR . . . -95.27 156.22 37.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.87 42.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 111.036 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.02 50.81 61.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.416 ' O ' ' CD2' ' A' ' 79' ' ' LEU . . . -121.36 -164.15 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 0.75 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.416 ' CD2' ' O ' ' A' ' 78' ' ' ALA . 1.7 mm? -140.31 100.46 3.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.571 HG13 ' CE3' ' A' ' 71' ' ' TRP . 58.2 t -101.24 53.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.442 ' CB ' ' HA ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -98.57 130.74 45.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.356 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 99' ' ' ALA . 4.3 mmt180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' ARG . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.442 ' HA ' ' CB ' ' A' ' 81' ' ' GLU . 46.1 m-85 -148.76 106.12 3.64 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -135.09 126.79 29.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.241 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.37 157.19 21.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.7 125.99 53.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.585 1.178 . . . . 0.0 108.255 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.1 162.64 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.76 1.44 20.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -98.93 -0.17 42.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.37 40.03 14.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.409 1.068 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.8 p -127.8 163.63 23.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 0.786 . . . . 0.0 110.369 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -91.75 -172.44 3.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.35 -174.88 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.357 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.74 -42.65 73.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.958 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 175.56 127.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 99' ' ' ALA . 2.4 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.1 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.579 ' CG ' ' O ' ' A' ' 74' ' ' SER . 1.4 m-85 -127.99 158.56 37.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' SER . 80.4 m -64.43 155.21 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 108.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.452 ' O ' ' CD1' ' A' ' 109' ' ' TRP . 20.7 t30 -88.84 155.24 19.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 15.4 t -80.38 147.34 31.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.45 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -179.96 160.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pp -101.34 176.4 5.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -123.16 176.47 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -62.05 -22.85 66.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.348 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.0 pt -97.24 38.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 42.27 26.75 0.38 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.51 ' CG2' ' NE1' ' A' ' 71' ' ' TRP . 30.9 m -88.58 105.76 17.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 110.422 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.88 151.03 45.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 108.284 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.545 ' CZ2' HG13 ' A' ' 113' ' ' VAL . 95.0 m95 -147.06 100.27 3.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.025 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -74.94 155.66 43.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.533 1.807 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 72' ' ' PRO . 4.2 mt-30 -34.93 149.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.579 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 1.8 m -156.05 -157.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.94 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.59 148.48 36.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 77' ' ' GLY . 18.1 Cg_endo -75.06 149.96 37.19 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.552 1.817 . . . . 0.0 110.965 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 76' ' ' PRO . . . 34.79 50.78 0.79 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 79' ' ' LEU . . . -113.14 -6.84 13.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 0.785 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER 47.57 100.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.633 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 1.3 p -72.53 58.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.96 126.33 30.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.429 ' HB3' ' CH2' ' A' ' 71' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.464 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 0.1 OUTLIER 169.69 110.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.383 1.052 . . . . 0.0 111.01 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.681 ' NE ' ' CE3' ' A' ' 109' ' ' TRP . 5.3 ptt180 -145.84 146.56 31.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -76.91 147.83 36.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 108' ' ' THR . 0.5 OUTLIER -111.9 164.89 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 108.35 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.1 mt -91.01 151.18 21.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.6 -2.52 23.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.0 -0.53 44.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.63 48.32 4.52 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.404 ' O ' ' SG ' ' A' ' 103' ' ' CYS . 1.0 OUTLIER -138.88 147.76 42.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.415 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.681 ' CE3' ' NE ' ' A' ' 101' ' ' ARG . 96.4 m95 -76.97 -171.58 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 107.983 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.02 -135.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.1 p -99.55 -49.96 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.025 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.73 141.69 19.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.545 HG13 ' CZ2' ' A' ' 71' ' ' TRP . 9.3 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -82.18 179.28 7.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.7 m -69.25 125.65 27.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.265 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -107.18 163.02 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.242 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 0.8 OUTLIER -56.25 123.63 15.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 64' ' ' LEU . 1.6 m -152.38 160.44 43.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.419 ' N ' HG23 ' A' ' 63' ' ' THR . 0.7 OUTLIER -121.88 126.4 48.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 67' ' ' ILE . 3.8 t70 -91.91 -170.63 2.61 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -39.48 -29.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.51 ' CD1' ' CG2' ' A' ' 69' ' ' THR . 20.8 pt -93.91 106.6 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -30.62 -42.18 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.596 ' O ' ' CD1' ' A' ' 71' ' ' TRP . 9.7 t -36.2 96.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 0.794 . . . . 0.0 110.4 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 68' ' ' GLY . 8.9 t -52.5 168.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.272 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.617 ' CH2' HG21 ' A' ' 113' ' ' VAL . 21.1 m95 -134.91 128.19 18.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.01 139.22 24.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.55 1.816 . . . . 0.0 111.053 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -35.32 142.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.97 177.24 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.8 160.92 25.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.41 ' HB3' ' N ' ' A' ' 107' ' ' GLY . 18.5 Cg_endo -74.92 147.02 33.73 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.445 1.761 . . . . 0.0 110.998 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.48 10.76 84.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.34 -165.7 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 pp -174.29 123.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.512 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 25.1 t -99.55 62.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 109.219 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -78.49 129.43 34.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 99' ' ' ALA . 11.8 ptt180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 82' ' ' ARG . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -176.21 126.88 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.481 ' HG3' ' CG2' ' A' ' 113' ' ' VAL . 0.3 OUTLIER -148.96 141.63 24.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -103.5 144.83 30.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.47 106.95 17.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.328 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.7 mt -53.33 165.73 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -77.04 1.21 18.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -99.94 -2.17 35.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.41 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 79.58 50.41 5.69 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.431 1.082 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 82.7 p -140.89 138.95 34.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 0.712 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.45 ' CE3' ' HB3' ' A' ' 101' ' ' ARG . 71.4 m95 -65.94 -171.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 107.961 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.44 -150.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.89 -43.83 5.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -141.78 143.71 33.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.617 HG21 ' CH2' ' A' ' 71' ' ' TRP . 4.0 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CD2' ' O ' ' A' ' 74' ' ' SER . 0.8 OUTLIER -119.29 164.75 15.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 74' ' ' SER . 11.2 m -69.13 136.02 51.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.285 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -86.05 152.4 22.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 t -73.05 130.07 39.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 t -167.1 156.76 10.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.435 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.413 ' CD2' ' C ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -119.46 159.5 24.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.248 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -134.14 -153.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.26 -26.11 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.347 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.482 HD13 ' CG2' ' A' ' 69' ' ' THR . 12.6 pt -101.05 101.24 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.444 1.09 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -34.71 -36.37 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.482 ' CG2' HD13 ' A' ' 67' ' ' ILE . 12.6 t -41.55 98.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.76 . . . . 0.0 110.435 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.6 t -66.12 137.6 57.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 108.316 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.498 ' CZ3' ' CG1' ' A' ' 80' ' ' VAL . 77.7 m95 -109.14 117.7 52.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.014 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.1 Cg_endo -75.03 143.93 29.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -37.07 153.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 110.32 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.584 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -156.07 -170.44 3.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.036 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.566 ' CB ' ' CZ ' ' A' ' 59' ' ' TYR . . . -94.51 166.71 14.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.244 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 151.16 39.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.544 1.813 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 46.97 47.1 19.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 79' ' ' LEU . . . -101.2 -9.69 21.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 0.723 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER 39.0 90.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.514 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 25.6 t -77.02 61.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -78.1 119.97 22.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.422 ' C ' HG11 ' A' ' 113' ' ' VAL . 53.7 t80 -161.45 100.24 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.552 ' HB3' ' CZ3' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -104.53 93.58 4.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.224 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -81.03 122.37 27.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.298 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.598 ' SG ' ' CE3' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -103.88 139.31 39.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 108.32 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.2 158.63 26.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.81 -2.49 20.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.62 1.27 56.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 77.58 46.78 9.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.445 1.09 . . . . 0.0 111.088 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.7 p -131.23 173.1 11.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 110.487 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.598 ' CE3' ' SG ' ' A' ' 103' ' ' CYS . 6.9 m95 -105.3 179.53 4.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.73 -153.14 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.54 -74.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.42 121.57 44.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 110.245 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 101' ' ' ARG . 41.9 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.25 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -120.83 147.07 45.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.7 m -44.42 128.64 6.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 108.273 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -108.66 166.32 10.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 73' ' ' GLN . 98.2 m -64.86 122.13 16.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 t -147.98 158.64 44.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.399 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 pp -91.94 140.43 29.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -93.74 -171.43 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -71.37 -12.82 61.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.9 pt -103.93 38.73 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 36.92 45.39 1.08 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.511 HG23 ' CD1' ' A' ' 71' ' ' TRP . 3.7 t -120.62 117.71 28.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 0.727 . . . . 0.0 110.439 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.9 t -99.87 110.15 22.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 108.274 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.573 ' CH2' HG21 ' A' ' 113' ' ' VAL . 23.7 m0 -95.46 157.4 36.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 108.002 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.0 146.91 33.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.446 ' N ' ' OG1' ' A' ' 62' ' ' THR . 4.1 pp0? -44.05 169.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.42 170.53 22.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.936 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.33 159.15 45.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 146.25 32.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.428 1.752 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.84 4.86 59.77 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.28 -150.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.73 . . . . 0.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.65 94.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.1 t -93.61 61.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.494 ' HA ' ' CB ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -96.07 150.06 20.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 110.262 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.494 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 15.7 p90 -134.78 144.53 47.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.061 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.494 ' HG3' ' CB ' ' A' ' 113' ' ' VAL . 2.0 mtt180 -133.74 127.09 32.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.22 141.22 28.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.252 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.439 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 1.6 m -104.77 111.96 24.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 108.269 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.94 163.53 11.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -77.42 1.33 19.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.7 -3.3 49.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.17 43.17 8.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.1 p -132.03 163.91 27.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 0.73 . . . . 0.0 110.405 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.468 ' CE3' ' HB3' ' A' ' 101' ' ' ARG . 14.6 m95 -87.93 -173.13 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.445 ' O ' ' NH2' ' A' ' 101' ' ' ARG . . . -91.38 -162.2 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.4 p -70.07 -51.98 27.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.074 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 113' ' ' VAL . 0.0 OUTLIER -179.04 121.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.573 HG21 ' CH2' ' A' ' 71' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.386 -0.228 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.625 ' CE1' ' CB ' ' A' ' 75' ' ' ALA . 3.4 t80 -97.49 166.67 11.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 41.8 m -77.29 161.36 28.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.317 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -117.77 167.73 11.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.487 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 8.9 t -93.63 134.81 35.54 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.67 169.2 24.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.449 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.55 159.24 44.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -173.67 -164.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -37.7 -48.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.446 HD13 ' CD ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -132.49 35.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.624 ' O ' ' CD1' ' A' ' 71' ' ' TRP . . . -78.47 -17.2 78.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.645 ' CG2' ' CZ2' ' A' ' 71' ' ' TRP . 4.2 t 39.23 28.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' GLY . 5.9 t 45.63 83.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.645 ' CZ2' ' CG2' ' A' ' 69' ' ' THR . 87.0 m95 -79.03 114.72 46.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 107.963 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.46 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.9 64.76 5.98 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.46 ' O ' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER 40.5 -165.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.552 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 168.09 179.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.625 ' CB ' ' CE1' ' A' ' 59' ' ' TYR . . . -99.07 162.06 22.71 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 145.57 32.01 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 111.035 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 67.16 18.28 68.97 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.62 -155.94 0.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -164.0 113.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.519 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 25.3 t -110.9 61.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -100.77 143.13 31.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.358 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.473 ' HB3' ' CG2' ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.481 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -154.96 124.31 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 111.028 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.477 ' CG ' HG23 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -149.63 122.09 8.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.94 162.14 14.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -113.33 113.84 25.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.3 mt -54.0 173.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -77.8 1.13 21.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -97.31 -1.85 43.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.33 23.11 61.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.596 1.185 . . . . 0.0 111.069 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.3 p -110.96 172.02 7.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 110.371 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.515 ' CZ2' ' HB3' ' A' ' 71' ' ' TRP . 56.2 m95 -92.19 -172.04 3.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.8 -170.44 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -60.05 3.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.446 ' CD ' HD13 ' A' ' 67' ' ' ILE . 2.3 ttt180 -178.78 128.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.477 HG23 ' CG ' ' A' ' 101' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 106' ' ' ASN . 4.4 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 74' ' ' SER . 20.1 t80 -114.89 159.3 20.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 74' ' ' SER . 10.0 m -75.1 133.21 41.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 108.342 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -93.16 168.08 11.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.9 t -90.06 130.46 36.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.427 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.41 172.84 2.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.391 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 pp -130.23 125.3 34.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -169.68 36.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.413 ' OE1' ' NE1' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -123.34 -65.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.267 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -143.75 38.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.1 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.26 -3.76 65.48 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 m -88.57 148.51 24.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.445 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -114.76 120.75 41.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.572 ' CE3' HG12 ' A' ' 80' ' ' VAL . 0.4 OUTLIER -90.96 129.45 44.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.5 Cg_endo -74.96 83.27 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 72' ' ' PRO . 3.8 mt-30 47.64 -176.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.618 ' OG ' ' CH2' ' A' ' 109' ' ' TRP . 0.0 OUTLIER 176.48 179.01 0.21 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.087 . . . . 0.0 110.004 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 103' ' ' CYS . . . -112.68 166.8 10.28 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.04 30.99 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.551 1.817 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 56.43 16.14 14.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.79 -147.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.769 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.87 86.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.572 HG12 ' CE3' ' A' ' 71' ' ' TRP . 79.1 t -89.77 65.57 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 100' ' ' TYR . 23.4 mt-10 -74.34 139.91 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 99' ' ' ALA . 12.7 ttm-85 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 82' ' ' ARG . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.417 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 0.8 OUTLIER -100.03 161.71 13.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.621 HH21 ' N ' ' A' ' 110' ' ' ALA . 0.0 OUTLIER -160.35 142.47 12.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -103.85 129.46 51.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.349 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -68.35 130.29 42.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 108.375 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.79 160.5 9.36 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -69.86 -4.52 20.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.404 ' O ' ' OG1' ' A' ' 58' ' ' THR . 0.6 OUTLIER -99.73 8.09 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 70.68 15.01 73.12 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.6 p -89.43 176.89 6.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 0.729 . . . . 0.0 110.373 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.618 ' CH2' ' OG ' ' A' ' 74' ' ' SER . 4.5 m95 -93.84 179.15 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 108.033 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.621 ' N ' HH21 ' A' ' 101' ' ' ARG . . . -98.9 141.49 31.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.15 -51.28 4.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.597 1.186 . . . . 0.0 109.953 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -165.99 123.24 1.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 100' ' ' TYR . 12.5 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.492 ' C ' ' CD1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -142.54 166.08 25.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 111.051 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.84 128.56 34.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 108.325 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 62' ' ' THR . 16.6 t-20 -90.96 163.28 14.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.26 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 13.0 t -85.42 114.01 22.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -148.33 159.8 43.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.08 . . . . 0.0 110.442 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 pp -79.08 163.85 24.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.499 ' OD1' ' CZ ' ' A' ' 101' ' ' ARG . 4.7 t0 -125.75 -164.16 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -55.33 -42.74 74.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.527 ' O ' ' C ' ' A' ' 68' ' ' GLY . 42.0 pt -102.21 34.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.527 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 25.06 54.03 0.05 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.426 1.079 . . . . 0.0 111.065 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.52 ' CG2' ' O ' ' A' ' 69' ' ' THR . 1.1 m -84.0 11.49 7.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.434 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.507 ' C ' ' O ' ' A' ' 69' ' ' THR . 0.5 OUTLIER 33.29 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 108.291 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.452 ' O ' ' HA ' ' A' ' 62' ' ' THR . 91.8 m95 -87.85 124.02 67.97 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -74.96 147.83 34.62 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.461 1.769 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 62' ' ' THR . 3.2 mt-30 -37.95 157.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.6 m -157.23 -166.38 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 110.044 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.01 164.53 18.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.419 ' HB3' ' N ' ' A' ' 107' ' ' GLY . 18.3 Cg_endo -75.08 148.63 35.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.91 44.11 98.28 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.03 -170.39 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.611 0.83 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.447 ' CD2' ' OE1' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -145.26 103.45 3.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.404 1.065 . . . . 0.0 109.349 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 101' ' ' ARG . 26.3 t -102.12 52.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.447 ' OE1' ' CD2' ' A' ' 79' ' ' LEU . 8.7 pt-20 -87.84 149.17 24.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.336 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.579 ' O ' ' CD1' ' A' ' 100' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 99' ' ' ALA . 47.0 m-85 -157.06 109.32 2.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.499 ' CZ ' ' OD1' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -125.63 125.92 43.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -110.52 164.06 13.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.75 116.54 28.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 108.298 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.8 mt -56.09 169.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.242 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -78.63 1.13 23.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.45 -1.63 40.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.227 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 82.8 24.73 52.26 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.46 1.1 . . . . 0.0 110.956 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.9 p -104.3 175.65 5.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.362 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.444 ' CZ2' ' HB3' ' A' ' 71' ' ' TRP . 13.1 m95 -96.03 -172.22 2.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.7 -144.07 0.09 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.501 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -91.47 -44.65 8.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.969 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 111' ' ' SER . 5.8 mtt180 167.0 48.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.466 ' O ' ' O ' ' A' ' 112' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.491 ' O ' ' CG2' ' A' ' 58' ' ' THR . 12.8 t . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 6.9 p90 -125.66 155.24 41.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.6 m -47.97 132.53 15.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.228 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -111.96 172.6 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 m -75.19 106.97 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.474 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -136.6 164.52 28.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.366 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' A' ' 63' ' ' THR . 0.5 OUTLIER -123.1 122.18 37.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.496 ' OD2' ' CZ ' ' A' ' 101' ' ' ARG . 0.2 OUTLIER -90.27 -167.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.345 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' ASP . 3.1 tp60 -38.42 -30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 69' ' ' THR . 25.6 pt -91.09 103.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -32.24 -38.58 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.553 1.158 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' ILE . 1.7 m -44.54 110.59 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 0.742 . . . . 0.0 110.353 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.47 153.42 35.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 108.255 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.545 ' CE3' HG11 ' A' ' 80' ' ' VAL . 96.8 m95 -118.21 135.7 23.62 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.138 . . . . 0.0 107.98 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 138.03 22.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.34 162.72 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.03 -178.94 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.45 157.3 65.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.478 ' HB3' ' HA2' ' A' ' 107' ' ' GLY . 18.5 Cg_endo -75.0 171.26 18.68 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.571 1.827 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 52.0 66.67 2.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -157.42 -147.4 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 0.736 . . . . 0.0 109.245 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 1.2 pt? -169.87 133.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.545 HG11 ' CE3' ' A' ' 71' ' ' TRP . 40.8 t -114.22 63.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -77.12 133.21 39.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.441 ' C ' ' CD1' ' A' ' 100' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.659 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -146.0 127.8 15.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.579 ' HD3' ' CE3' ' A' ' 109' ' ' TRP . 13.2 ttt180 -128.39 131.27 48.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -100.52 149.57 23.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.32 135.67 45.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 76' ' ' PRO . 1.2 tp -86.97 151.77 22.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.55 -0.17 16.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.55 -9.23 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.478 ' HA2' ' HB3' ' A' ' 76' ' ' PRO . . . 101.34 8.93 45.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.61 1.194 . . . . 0.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 109' ' ' TRP . 0.6 OUTLIER -135.52 174.09 10.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 110.415 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.579 ' CE3' ' HD3' ' A' ' 101' ' ' ARG . 63.6 m95 -77.2 -163.4 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 107.986 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.12 -107.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.35 -38.46 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.07 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -178.96 155.59 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 99' ' ' ALA . 5.9 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.435 ' O ' ' CG2' ' A' ' 58' ' ' THR . 10.9 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -126.33 -178.53 4.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.414 ' O ' ' O ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -92.01 138.52 31.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.297 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -120.63 -167.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 1.2 m -73.2 127.97 34.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.418 HG23 ' N ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -166.81 174.83 8.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 110.446 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.418 ' N ' HG23 ' A' ' 63' ' ' THR . 3.0 pp -119.38 128.16 53.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -78.97 179.36 7.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -57.26 -21.81 36.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.244 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.499 ' O ' ' C ' ' A' ' 68' ' ' GLY . 2.1 pt -93.12 37.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.499 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 29.68 42.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.592 ' O ' ' CD1' ' A' ' 71' ' ' TRP . 39.1 m -107.4 107.57 18.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.783 . . . . 0.0 110.434 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.45 110.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 108.222 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 69' ' ' THR . 96.7 m95 -101.84 127.63 30.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 156.59 43.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.5 154.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -159.99 171.81 18.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.991 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.94 163.98 18.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 146.57 33.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.538 1.809 . . . . 0.0 111.064 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.53 26.57 68.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.26 -150.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.74 111.68 2.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.237 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.578 HG11 ' CZ3' ' A' ' 71' ' ' TRP . 70.7 t -102.58 50.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.489 ' CB ' ' HA ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -83.84 140.13 32.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 99' ' ' ALA . 11.4 ptp180 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 82' ' ' ARG . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.489 ' HA ' ' CB ' ' A' ' 81' ' ' GLU . 0.2 OUTLIER 171.97 52.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.631 ' NH1' ' CZ3' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -101.78 -164.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -151.91 140.07 20.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.02 138.47 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 108.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.21 156.89 36.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.24 1.71 17.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.41 1.26 41.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.78 36.66 18.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.138 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 70.0 p -128.69 139.94 51.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.631 ' CZ3' ' NH1' ' A' ' 101' ' ' ARG . 48.1 m95 -56.9 -171.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.034 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.74 -175.19 2.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.38 -55.74 3.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.023 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -147.81 122.41 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.252 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.538 ' CG1' ' HB3' ' A' ' 101' ' ' ARG . 22.1 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.473 ' O ' ' CG2' ' A' ' 58' ' ' THR . 12.0 t . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 60' ' ' CYS . 40.7 p90 -102.81 166.84 10.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' TYR . 10.9 m -41.17 134.09 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.443 ' HA ' ' CG ' ' A' ' 73' ' ' GLN . 24.7 t30 -96.64 172.78 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.172 . . . . 0.0 109.301 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 t -87.25 130.73 34.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.462 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -166.66 176.21 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.64 ' CD2' ' O ' ' A' ' 68' ' ' GLY . 14.3 mt -117.48 152.51 34.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.23 -153.19 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.354 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -47.55 -28.55 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.54 ' C ' ' H ' ' A' ' 69' ' ' THR . 0.5 OUTLIER -110.49 110.08 30.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.08 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.64 ' O ' ' CD2' ' A' ' 64' ' ' LEU . . . -50.92 -7.21 0.16 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.17 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.54 ' H ' ' C ' ' A' ' 67' ' ' ILE . 14.7 m -62.25 72.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 110.444 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' A' ' 68' ' ' GLY . 0.6 OUTLIER -38.73 127.98 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -101.61 115.88 64.31 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 75.14 3.78 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.443 ' CG ' ' HA ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER 52.61 172.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.608 ' OG ' ' CZ2' ' A' ' 109' ' ' TRP . 3.6 m -159.37 -157.82 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.7 152.88 80.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.36 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.428 ' HB3' ' N ' ' A' ' 107' ' ' GLY . 18.4 Cg_endo -74.94 139.82 24.91 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.538 1.81 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.47 20.54 77.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.557 1.161 . . . . 0.0 111.059 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -126.08 157.89 36.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.56 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -123.71 110.8 15.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.6 t -68.59 63.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 109.222 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 79' ' ' LEU . 4.6 pt-20 -76.4 130.31 37.85 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.398 1.061 . . . . 0.0 110.32 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.496 ' C ' ' CD1' ' A' ' 100' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.496 ' CD1' ' C ' ' A' ' 99' ' ' ALA . 22.5 m-85 -154.42 106.44 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -124.73 143.21 50.89 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -110.22 152.97 25.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 110.222 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.31 132.64 48.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 108.3 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 47.8 mt -66.06 168.69 7.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -79.52 1.24 26.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.357 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.9 -2.77 49.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.428 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 82.45 33.06 26.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 67.4 p -123.11 162.91 21.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 0.73 . . . . 0.0 110.363 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.608 ' CZ2' ' OG ' ' A' ' 74' ' ' SER . 23.5 m95 -80.83 -171.71 3.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 107.975 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.0 -156.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.36 -66.4 0.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -177.78 163.61 1.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.634 1.209 . . . . 0.0 110.278 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 99' ' ' ALA . 1.4 p . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.68 170.5 21.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 0.806 . . . . 0.0 109.962 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -132.79 68.01 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.2 ttt -169.08 115.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 0.786 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -179.92 -179.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.21 112.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.239 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -176.48 145.5 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -159.45 164.99 34.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -177.4 142.09 0.33 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.34 117.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.354 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -125.0 -176.23 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -134.42 163.93 28.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -51.81 132.12 31.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -170.52 111.77 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.265 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -117.5 -60.95 1.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 110.27 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -176.38 156.21 1.54 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 109.598 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.69 35.45 1.03 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.2 t70 61.43 146.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.209 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m 167.56 152.78 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.021 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.434 ' O ' ' CB ' ' A' ' 36' ' ' LEU . 4.3 t70 -107.44 147.24 30.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.434 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER 83.39 -51.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.1 129.59 3.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.517 1.135 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.4 t -81.12 2.38 27.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 110.375 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -174.28 124.42 0.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.63 150.13 47.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 mt -87.67 3.43 47.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.341 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -121.15 34.07 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.44 -44.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 45' ' ' CYS . 6.8 p90 -176.48 -37.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.531 1.145 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.592 ' O ' ' CD2' ' A' ' 44' ' ' TYR . 1.8 t 61.6 -145.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 108.306 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.524 ' CG ' ' HB3' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -74.45 -166.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.57 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.473 ' O ' ' C ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -57.39 -36.28 71.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.588 1.18 . . . . 0.0 110.313 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 47' ' ' ARG . 10.2 t 32.53 89.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.444 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 49' ' ' THR . 15.0 t -139.5 87.83 2.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.112 . . . . 0.0 110.449 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.416 HG22 ' ND2' ' A' ' 61' ' ' ASN . 17.2 tt -171.68 163.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.407 1.067 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.72 58.1 0.34 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.434 1.084 . . . . 0.0 111.033 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.8 t30 68.55 52.99 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.792 . . . . 0.0 109.324 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -168.26 -40.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.93 76.39 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -111.11 98.9 1.08 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.103 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -66.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.79 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.406 ' HE1' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -121.75 -169.69 1.91 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.6 m -100.31 34.31 2.41 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.416 1.072 . . . . 0.0 110.39 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.488 ' C ' ' CD1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -79.12 167.74 20.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.2 m -66.01 148.72 51.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 108.28 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.416 ' ND2' HG22 ' A' ' 50' ' ' ILE . 13.2 t-20 -114.71 163.3 15.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.369 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' A' ' 73' ' ' GLN . 2.5 m -62.68 126.18 26.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -158.42 159.4 35.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 0.0 110.449 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 pp -132.52 126.36 32.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.364 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' C ' ' N ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -95.48 -160.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' ASP . 17.0 mp0 -38.83 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.39 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.441 ' N ' ' C ' ' A' ' 65' ' ' ASP . 5.2 mp -89.46 102.7 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -35.53 -42.52 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.419 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 1.8 m -46.29 109.79 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.754 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.2 p -82.61 143.22 31.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 108.344 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.422 ' CZ2' HG23 ' A' ' 113' ' ' VAL . 21.2 m95 -110.67 141.78 24.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.036 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.524 ' HB3' ' CG ' ' A' ' 46' ' ' HIS . 18.3 Cg_endo -74.98 143.36 29.04 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.545 1.813 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -36.17 150.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.395 1.059 . . . . 0.0 110.279 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -143.0 -171.52 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.31 153.52 37.7 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 147.35 33.63 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.76 5.78 70.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.79 -157.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.9 132.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.491 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 40.2 t -103.52 59.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.62 143.32 26.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.419 ' N ' ' HD3' ' A' ' 83' ' ' PRO . 18.2 mtm180 -151.86 63.75 5.46 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.343 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -74.97 102.26 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.54 1.81 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.6 m 65.36 158.33 0.13 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 108.231 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -59.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.446 1.761 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.56 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -134.51 143.22 47.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -78.67 59.72 2.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 89' ' ' ASN . 25.6 p90 -76.83 -45.21 29.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.563 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 10.3 m120 66.12 80.9 0.21 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.594 1.184 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 104.41 57.94 0.7 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.458 1.099 . . . . 0.0 111.045 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.495 ' HB ' ' CD1' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -158.46 169.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.513 0.772 . . . . 0.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.465 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -83.66 108.95 17.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.401 1.063 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -80.62 172.49 13.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.571 ' N ' HD21 ' A' ' 94' ' ' ASN . 1.5 m-80 -108.92 -28.61 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.4 m 63.27 109.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.435 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 72.7 p -122.16 53.89 1.2 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 55.44 66.24 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.449 ' OD1' ' CE2' ' A' ' 115' ' ' TYR . 15.8 p30 -57.28 155.91 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.562 ' HA ' ' CD1' ' A' ' 115' ' ' TYR . . . 172.97 171.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.248 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -148.61 102.39 3.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.4 125.62 31.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -100.88 154.13 18.92 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.52 117.08 28.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 108.256 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.1 mt -59.06 165.16 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.237 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -77.8 1.4 20.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.66 -2.73 40.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.14 49.93 4.78 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.2 p -140.44 156.2 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 0.81 . . . . 0.0 110.36 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -82.84 -171.46 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.604 1.19 . . . . 0.0 107.977 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.35 -168.23 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -58.64 7.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -174.01 137.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.494 ' CG2' ' CB ' ' A' ' 99' ' ' ALA . 2.3 p -48.13 154.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -167.66 155.29 8.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.562 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 28.1 p90 -177.0 98.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.489 ' O ' ' CD ' ' A' ' 120' ' ' PRO . 56.0 p -119.58 1.13 11.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -93.7 15.08 17.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.562 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 8.6 t -117.11 -47.92 2.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 108.349 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.497 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -47.72 -51.84 42.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.3 Cg_endo -75.03 119.29 5.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 12.2 mm -140.08 155.26 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.362 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.47 53.44 2.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -179.93 81.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 177.33 133.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm 173.69 87.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -144.14 175.93 9.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 4.1 mtm-85 65.55 136.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.251 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.76 -63.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.439 ' CG ' ' N ' ' A' ' 130' ' ' ASP . 43.2 t80 53.39 171.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.439 ' N ' ' CG ' ' A' ' 129' ' ' TYR . 0.2 OUTLIER 173.72 166.53 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 54.8 tp -129.26 133.84 47.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.37 144.83 46.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.608 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.9 t -167.2 165.79 15.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.963 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.36 126.53 8.67 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.416 1.073 . . . . 0.0 111.039 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -179.38 -172.51 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.764 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.3 mttt 61.79 -176.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 59.43 115.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.231 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.7 m -162.07 153.88 18.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 110.42 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -147.93 165.14 31.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -177.6 150.83 0.7 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.439 ' O ' ' CG ' ' A' ' 25' ' ' LYS . . . -163.94 178.29 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -173.57 175.98 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -165.58 176.4 8.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -174.15 167.7 4.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 0.0 110.31 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.04 167.61 4.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.14 -62.79 1.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 56.78 175.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.3 mtt 60.45 121.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 178.31 159.3 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -167.77 150.39 5.5 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.797 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.57 141.57 47.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.74 85.38 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.5 42.15 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.557 1.161 . . . . 0.0 110.943 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.403 ' C ' ' OG1' ' A' ' 39' ' ' THR . 81.2 p -80.13 51.02 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.366 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.403 ' OG1' ' C ' ' A' ' 38' ' ' THR . 2.6 m -154.13 -137.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.415 ' N ' HD22 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -114.81 -51.97 2.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 65.03 73.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 2.6 mt-10 60.51 47.8 8.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.251 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.428 ' O ' ' CD2' ' A' ' 44' ' ' TYR . 64.7 mm-40 51.94 -97.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.275 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.428 ' CD2' ' O ' ' A' ' 43' ' ' GLN . 1.4 m-85 -177.22 78.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.6 p -139.25 73.51 1.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 108.284 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.553 ' CD2' ' N ' ' A' ' 47' ' ' ARG . 7.7 t60 -45.13 159.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.592 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.553 ' N ' ' CD2' ' A' ' 46' ' ' HIS . 0.6 OUTLIER -80.66 -91.66 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.357 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.442 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 13.8 t -175.0 -41.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.393 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.425 HG23 ' NE2' ' A' ' 46' ' ' HIS . 13.1 p 38.38 90.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.7 tt -61.38 -22.56 27.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.58 131.98 3.77 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 60.43 115.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 0.807 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 54' ' ' SER . 41.5 t80 60.03 94.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.158 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' PHE . 60.1 p -37.8 107.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.47 105.3 0.01 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -71.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.476 1.777 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.73 ' CE1' ' CD1' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -53.52 -172.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 t -91.27 89.52 7.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.372 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.73 ' CD1' ' CE1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -119.0 174.08 6.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 96.8 m -88.5 150.16 23.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.308 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -106.47 160.65 15.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 m -71.51 122.11 19.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.399 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 m -143.39 152.93 42.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.427 1.08 . . . . 0.0 110.36 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 4.2 pp -116.54 134.69 54.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -96.86 -178.01 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -64.83 -11.4 36.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.274 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' GLY . 4.8 mt -102.49 38.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 34.79 37.9 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.421 ' HB ' ' NE1' ' A' ' 71' ' ' TRP . 1.1 p -88.33 92.89 9.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 110.394 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.12 93.51 8.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.072 . . . . 0.0 108.254 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.421 ' NE1' ' HB ' ' A' ' 69' ' ' THR . 68.7 m95 -88.67 113.41 55.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.008 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.471 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.03 81.5 2.21 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.812 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER 53.33 169.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.485 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 64.7 m -169.96 -173.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.929 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.03 157.42 52.96 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.49 31.51 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.584 1.834 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 57.91 49.36 75.41 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.578 1.174 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.415 ' O ' ' CD2' ' A' ' 79' ' ' LEU . . . -125.72 -161.39 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 0.796 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.415 ' CD2' ' O ' ' A' ' 78' ' ' ALA . 1.1 mm? -142.71 110.44 5.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 54.0 t -110.16 49.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.559 ' HB3' ' CD1' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -102.84 161.97 13.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 82' ' ' ARG . 3.7 ptp180 -171.62 63.58 0.37 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 82' ' ' ARG . 18.1 Cg_endo -74.99 131.86 14.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.446 ' N ' ' SG ' ' A' ' 118' ' ' CYS . 26.5 m 67.34 112.98 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 108.263 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -166.17 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 54.44 -174.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 0.9 OUTLIER -118.91 105.92 11.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.647 ' CE2' ' ND2' ' A' ' 89' ' ' ASN . 7.2 p90 -114.79 -21.92 9.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.647 ' ND2' ' CE2' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -113.38 -64.61 1.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 109.238 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 179.23 36.97 0.07 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.565 1.166 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.573 ' CG2' ' CE2' ' A' ' 93' ' ' TYR . 26.7 mm -137.58 150.57 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.585 0.814 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.73 106.39 14.74 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.573 ' CE2' ' CG2' ' A' ' 91' ' ' ILE . 9.0 m-85 -125.31 76.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.96 -27.95 61.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.9 p -53.65 103.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.464 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.0 m -49.29 -68.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.78 116.76 4.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -94.43 163.45 13.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.564 ' HA ' ' CD1' ' A' ' 115' ' ' TYR . . . 179.08 171.08 0.89 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.559 ' CD1' ' HB3' ' A' ' 81' ' ' GLU . 1.2 t80 -134.34 109.09 8.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.503 ' HD3' ' CE3' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -128.89 134.6 48.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -120.09 153.02 36.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -112.92 113.5 25.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 108.282 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.04 171.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -78.23 1.29 22.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -98.15 -2.66 39.41 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.48 31.83 32.54 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 64.6 p -113.35 174.1 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 0.798 . . . . 0.0 110.371 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.503 ' CE3' ' HD3' ' A' ' 101' ' ' ARG . 6.9 m95 -100.98 -175.63 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -93.85 -156.44 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.6 p -111.35 -45.35 3.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 0.0 110.024 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.74 132.76 33.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.484 ' CG1' ' HG3' ' A' ' 101' ' ' ARG . 0.2 OUTLIER -94.24 72.63 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 100' ' ' TYR . 0.8 OUTLIER -96.18 175.62 6.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.564 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 3.2 p90 -161.69 105.49 1.24 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.69 1.19 29.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.62 31.72 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.585 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 84' ' ' CYS . 37.6 t -103.55 -53.96 2.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.147 . . . . 0.0 108.272 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 0.4 OUTLIER -45.15 -54.1 15.01 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.32 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.1 Cg_endo -75.04 125.95 9.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.526 1.803 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 32.7 mm -75.05 134.63 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.6 1.188 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.9 -179.84 3.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.29 174.44 0.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 109.344 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.5 175.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.236 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.47 133.12 4.47 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -104.18 175.64 5.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.266 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.6 ttp-105 -39.98 117.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -40.59 -66.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 26.4 t80 55.53 173.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -150.74 169.28 22.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.95 -175.54 2.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.083 . . . . 0.0 109.332 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -163.99 146.81 9.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.595 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 68.7 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.4 t -170.54 170.28 6.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 0.746 . . . . 0.0 110.021 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.01 168.35 39.65 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 50.6 mmm -142.12 141.63 32.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 0.756 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -112.49 164.07 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -142.79 167.2 22.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -134.23 146.55 50.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.65 142.95 33.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.27 -62.05 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -174.77 176.76 2.18 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -69.47 141.76 53.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -99.2 173.37 6.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.86 167.75 24.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.82 158.25 24.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -120.09 -58.6 1.86 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.122 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 30' ' ' HIS . 1.7 t-80 40.1 89.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.543 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.05 -56.92 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.72 167.17 14.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 m -162.79 149.71 10.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.517 1.798 . . . . 0.0 111.01 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.05 122.45 18.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.74 80.53 1.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 169.57 70.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.108 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.1 t -89.0 35.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 0.755 . . . . 0.0 110.373 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 40' ' ' LEU . 9.6 t -160.78 -138.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.46 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.43 ' N ' ' CG2' ' A' ' 39' ' ' THR . 1.5 pt? -120.92 107.66 12.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.42 8.98 38.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 44' ' ' TYR . 19.3 mp0 -114.63 22.1 13.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.58 ' O ' ' CD2' ' A' ' 44' ' ' TYR . 5.3 tt0 -68.45 62.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.58 ' CD2' ' O ' ' A' ' 43' ' ' GLN . 2.0 m-85 176.12 81.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.15 52.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.324 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -61.71 134.38 56.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.57 1.169 . . . . 0.0 109.553 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.453 ' O ' ' CB ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -103.22 -99.68 0.29 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.453 ' CB ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 169.68 171.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 110.415 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.446 ' N ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER 176.83 102.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.445 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' THR . 19.1 tt 39.73 30.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' THR . . . 40.37 62.49 1.56 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -168.22 -80.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 173.29 -40.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.407 ' O ' ' OG1' ' A' ' 49' ' ' THR . 0.5 OUTLIER -61.39 157.39 16.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.963 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.74 108.48 0.91 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -65.95 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -93.95 160.68 14.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.5 m -80.7 102.77 10.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.367 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.53 164.21 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' SER . 6.5 m -53.08 161.6 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -108.03 170.81 7.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.479 ' O ' ' CB ' ' A' ' 63' ' ' THR . 6.4 t -102.23 136.22 42.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.376 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.479 ' CB ' ' O ' ' A' ' 62' ' ' THR . 0.6 OUTLIER 168.18 160.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.486 ' CD2' ' C ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -120.09 141.4 49.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.85 35.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.358 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.473 ' NE2' ' CZ ' ' A' ' 101' ' ' ARG . 2.9 mp0 -123.9 -77.25 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -140.14 37.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.86 -36.83 3.31 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.457 1.098 . . . . 0.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.3 m -55.65 112.94 1.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.747 . . . . 0.0 110.437 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.56 139.72 37.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 108.321 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.411 ' CD2' ' HD3' ' A' ' 101' ' ' ARG . 1.0 OUTLIER -117.53 115.6 37.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 108.024 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.0 Cg_endo -74.96 151.27 39.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.773 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 72' ' ' PRO . 7.2 mt-30 -36.82 152.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.262 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' CYS . 0.7 OUTLIER -156.4 168.3 27.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.31 154.45 90.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.12 37.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.568 1.825 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.89 59.59 9.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.413 1.071 . . . . 0.0 110.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.34 -165.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 0.721 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.79 104.23 5.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.391 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.53 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 22.9 t -96.0 61.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.464 ' CB ' ' HA ' ' A' ' 100' ' ' TYR . 14.6 pt-20 -98.49 156.59 16.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 82' ' ' ARG . 3.9 ptp180 -162.85 145.84 8.48 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 125.47 9.34 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.475 1.776 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 59.5 m -42.78 103.38 0.31 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.14 . . . . 0.0 108.312 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.557 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 18.3 Cg_endo -74.96 176.92 9.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.781 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -70.31 165.56 22.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.256 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.548 ' CG ' ' O ' ' A' ' 87' ' ' TYR . 31.0 t80 49.93 53.06 13.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.606 ' CZ ' ' CG ' ' A' ' 89' ' ' ASN . 21.2 p90 -121.7 -47.41 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 110.985 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.606 ' CG ' ' CZ ' ' A' ' 88' ' ' PHE . 53.0 p-10 -113.39 -21.37 10.93 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.423 1.077 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.451 ' N ' ' OD1' ' A' ' 89' ' ' ASN . . . 153.61 -49.0 0.52 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.443 ' CD1' ' HB3' ' A' ' 124' ' ' ASP . 6.5 tt -93.21 173.1 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.421 ' O ' ' ND2' ' A' ' 94' ' ' ASN . 11.1 mtmm -78.51 -172.14 2.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.446 ' O ' ' CG ' ' A' ' 93' ' ' TYR . 5.3 p90 -78.99 133.2 36.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.585 ' N ' HD21 ' A' ' 94' ' ' ASN . 0.8 OUTLIER -121.03 -1.27 9.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.419 ' O ' ' HB ' ' A' ' 96' ' ' THR . 2.5 m 76.23 -179.92 0.16 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.524 1.14 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 95' ' ' THR . 24.0 m 72.92 -54.44 0.69 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.536 1.148 . . . . 0.0 110.371 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.43 91.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.05 139.49 50.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.371 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.506 ' HB3' ' CD2' ' A' ' 115' ' ' TYR . . . -110.98 169.99 8.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -139.98 145.21 37.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.473 ' CZ ' ' NE2' ' A' ' 66' ' ' GLN . 1.9 mtp85 -136.24 80.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.355 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.29 146.98 53.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.31 136.1 50.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.424 1.077 . . . . 0.0 108.265 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.5 mt -74.09 157.81 35.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -76.92 1.13 18.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.07 -1.61 54.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.07 43.69 8.02 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.0 p -129.99 170.38 14.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 0.772 . . . . 0.0 110.469 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -90.07 -171.35 3.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 107.974 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.36 -142.21 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.08 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 m -94.07 -80.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.938 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.501 ' O ' ' CG1' ' A' ' 113' ' ' VAL . 9.2 ptt180 -158.11 47.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.545 HG13 ' CE2' ' A' ' 115' ' ' TYR . 7.4 p 50.05 178.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.531 ' C ' ' CG ' ' A' ' 115' ' ' TYR . 7.9 t-20 -159.9 153.7 22.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.683 ' N ' ' CD1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -179.78 121.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.9 t -91.69 0.19 57.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.993 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.34 2.36 6.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.552 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.446 ' HB3' ' CG ' ' A' ' 115' ' ' TYR . 0.5 OUTLIER -117.66 -7.25 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 108.234 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.592 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -79.16 -46.24 1.68 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.1 Cg_endo -75.06 110.46 3.12 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.533 1.807 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.3 mm -94.89 179.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.84 95.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -176.62 89.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.586 1.179 . . . . 0.0 109.194 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.443 ' HB3' ' CD1' ' A' ' 91' ' ' ILE . 22.4 p-10 -129.08 175.01 9.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 53.87 60.27 3.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 113.23 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.365 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.1 86.89 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.93 167.63 13.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 55.94 171.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -156.08 142.75 18.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.23 153.46 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.238 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -116.35 153.56 31.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.597 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 13.6 t80 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.592 1.183 . . . . 0.0 110.988 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.81 162.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.934 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 170.18 169.0 32.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.547 1.154 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.9 112.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.412 0.713 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.95 169.28 22.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 175.07 -39.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -48.48 147.64 2.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.395 1.06 . . . . 0.0 110.339 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -162.22 -70.25 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 62.23 148.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.27 119.53 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' O ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -167.4 114.13 0.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER 168.94 148.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 62.6 159.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.32 161.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -110.12 -57.21 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.502 ' O ' ' CG ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER 179.71 113.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.626 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 169.87 145.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 60.42 152.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -150.63 153.24 33.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.067 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.436 1.756 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 t0 40.3 -158.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.76 -67.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.83 -58.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.8 m -41.69 129.27 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 110.427 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.9 m 60.62 84.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 110.407 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.28 149.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.58 5.97 25.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.83 29.93 7.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.76 -62.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.247 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -178.62 -36.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 70.94 -63.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.373 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.495 ' CD2' ' N ' ' A' ' 47' ' ' ARG . 9.7 t60 177.92 -75.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.644 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.495 ' N ' ' CD2' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -59.56 -77.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 48' ' ' THR . 14.4 t 31.43 89.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.394 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.483 ' HB ' ' CZ ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -81.22 155.38 26.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.413 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 96.6 mt 40.49 62.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 52' ' ' ASN . . . -51.57 -175.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.6 OUTLIER 81.86 -53.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 109.248 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.484 ' O ' ' CB ' ' A' ' 54' ' ' SER . 0.6 OUTLIER -106.44 -64.51 1.16 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.59 1.181 . . . . 0.0 111.052 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 53' ' ' PHE . 0.5 OUTLIER 159.72 -50.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.059 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.569 ' O ' ' CE2' ' A' ' 57' ' ' TYR . . . 117.33 145.83 8.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 111.061 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.61 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -74.99 -70.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.42 1.748 . . . . 0.0 110.98 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.61 ' CD1' ' O ' ' A' ' 56' ' ' PRO . 7.5 p90 41.01 -172.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.2 m -140.09 11.27 2.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.395 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.413 ' OH ' ' NH2' ' A' ' 47' ' ' ARG . 4.3 p90 -117.53 169.52 9.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.074 . . . . 0.0 110.966 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.7 m -58.61 133.75 56.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 108.284 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.457 ' OD1' ' CE2' ' A' ' 57' ' ' TYR . 7.5 t30 -85.99 -172.06 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.9 t -100.77 134.85 43.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.46 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 t -174.69 151.59 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.362 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 pp -120.45 117.33 27.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -84.34 -151.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -56.87 -16.66 7.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.473 ' HB ' ' CG1' ' A' ' 113' ' ' VAL . 1.9 mm -99.05 105.37 17.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -33.26 -49.87 0.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.566 1.166 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 69' ' ' THR . 0.6 OUTLIER -35.98 98.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 110.404 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' GLY . 0.9 OUTLIER -82.53 143.76 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.367 1.042 . . . . 0.0 108.332 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.582 ' CZ3' HG12 ' A' ' 80' ' ' VAL . 1.0 OUTLIER -115.85 109.94 44.68 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 108.004 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 82.31 2.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.474 1.776 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 72' ' ' PRO . 5.3 tm0? 59.2 148.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.54 168.37 26.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.026 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.58 151.06 55.2 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 77' ' ' GLY . 18.3 Cg_endo -74.95 158.0 42.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.444 1.76 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 76' ' ' PRO . . . 35.61 45.45 0.74 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.35 2.89 14.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 109.251 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.415 ' CD2' ' HG3' ' A' ' 102' ' ' GLU . 3.0 mm? 39.96 89.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.582 HG12 ' CZ3' ' A' ' 71' ' ' TRP . 76.7 t -84.9 61.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.367 1.042 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -78.05 167.52 21.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.43 ' N ' ' HD3' ' A' ' 83' ' ' PRO . 0.9 OUTLIER -164.12 62.9 1.07 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -74.99 98.14 1.14 Allowed 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.535 1.808 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 83' ' ' PRO . 52.0 m 58.88 159.44 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 108.297 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -49.05 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.485 1.781 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -147.9 156.32 42.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.588 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 6.3 p90 -88.64 32.01 0.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 93' ' ' TYR . 38.7 p90 -43.75 -50.42 7.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 111.042 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.554 ' N ' ' CD2' ' A' ' 88' ' ' PHE . 1.4 m-80 51.63 78.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.36 -44.1 1.22 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.491 ' CG2' ' N ' ' A' ' 92' ' ' LYS . 0.3 OUTLIER -79.3 170.26 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.491 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 13.2 ttpt -79.1 129.15 34.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 3.2 p90 -79.18 167.79 20.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.672 ' N ' HD21 ' A' ' 94' ' ' ASN . 1.0 OUTLIER -96.97 2.07 51.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.233 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.535 ' CB ' ' O ' ' A' ' 94' ' ' ASN . 2.1 m 85.0 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.412 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.513 ' O ' ' C ' ' A' ' 97' ' ' ARG . 28.8 p 33.6 79.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.434 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.513 ' C ' ' O ' ' A' ' 96' ' ' THR . 13.0 mmt180 -28.72 96.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 96' ' ' THR . 0.9 OUTLIER -66.51 148.47 51.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.468 ' HB3' ' CG2' ' A' ' 113' ' ' VAL . . . 178.89 174.89 0.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.617 ' CB ' ' CE2' ' A' ' 115' ' ' TYR . 8.9 m-85 -127.67 129.33 46.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.571 ' HD3' ' CH2' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -126.77 82.87 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.351 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.415 ' HG3' ' CD2' ' A' ' 79' ' ' LEU . 32.8 tt0 -72.26 146.36 47.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.362 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.598 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -127.18 144.06 51.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.285 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 mt -89.92 156.47 18.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -76.39 0.6 19.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.67 -0.99 53.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.11 56.97 2.91 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.459 1.1 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 76.7 p -147.83 164.15 34.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 0.762 . . . . 0.0 110.444 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.598 ' CZ3' ' SG ' ' A' ' 103' ' ' CYS . 4.9 m95 -92.74 -179.78 5.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 108.018 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.04 -154.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -76.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.25 143.89 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 114' ' ' ASN . 7.3 p -84.35 134.56 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 113' ' ' VAL . 0.9 OUTLIER 157.93 -37.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.659 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 46.3 p90 -64.64 69.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.574 ' HA ' ' CD1' ' A' ' 100' ' ' TYR . 0.2 OUTLIER -96.85 -26.58 15.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.98 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.561 ' CG ' ' O ' ' A' ' 116' ' ' SER . 15.5 p80 53.03 32.84 13.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.656 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.66 -20.52 17.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.083 . . . . 0.0 108.261 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.497 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 0.8 OUTLIER -62.49 -51.18 74.85 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.315 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.3 Cg_endo -74.98 60.4 5.42 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.557 1.819 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.6 tt -76.55 176.52 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.29 46.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -82.21 72.18 9.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -171.46 173.02 4.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -49.39 171.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.32 171.66 7.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.81 174.64 7.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 9.6 tptt -134.76 -60.98 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.556 ' CG ' ' N ' ' A' ' 130' ' ' ASP . 21.4 t80 54.19 170.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.556 ' N ' ' CG ' ' A' ' 129' ' ' TYR . 1.2 p30 174.18 166.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.42 178.38 3.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.95 123.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.549 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 10.2 t80 . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.06 168.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.751 . . . . 0.0 110.016 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -122.01 70.0 0.42 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.5 ptm -134.73 175.6 9.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 110.981 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.1 mttt 63.67 117.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -167.75 132.11 1.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -139.47 162.28 35.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.36 101.75 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.65 144.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.21 79.01 9.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -153.0 157.91 41.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -107.6 162.05 14.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -63.61 147.31 51.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.46 158.58 43.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.04 -46.54 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.447 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER 59.0 157.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.606 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.9 mtt -129.35 141.32 51.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.52 22.78 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.36 155.96 36.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.044 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.551 1.816 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.25 124.71 43.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.17 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.3 mt -147.23 -81.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 40.78 64.33 1.26 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.4 m -135.86 30.22 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 110.421 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.471 ' O ' ' CG2' ' A' ' 39' ' ' THR . 13.5 t -166.66 71.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.27 173.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 pp -115.74 4.69 14.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.4 OUTLIER -101.63 13.67 34.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.444 ' C ' ' CG ' ' A' ' 44' ' ' TYR . 42.8 mm-40 38.25 72.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.444 ' CG ' ' C ' ' A' ' 43' ' ' GLN . 2.1 m-85 67.3 92.15 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -78.26 83.05 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 108.258 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 179.3 140.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.599 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 48' ' ' THR . 13.6 ptm180 -121.39 -50.01 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.494 ' O ' ' CG2' ' A' ' 49' ' ' THR . 2.7 t -178.4 -41.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 48' ' ' THR . 4.3 t 46.23 55.56 7.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 110.467 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.2 mt 48.22 76.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.227 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.95 -105.19 1.92 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -177.53 -38.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 0.0 109.357 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.683 ' CD2' ' O ' ' A' ' 53' ' ' PHE . 12.4 p90 -79.09 48.35 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.9 m 65.75 -174.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 165.81 -131.09 2.29 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.581 1.175 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -67.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.559 ' CE1' ' O ' ' A' ' 59' ' ' TYR . 68.9 t80 55.86 171.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.546 ' CB ' ' O ' ' A' ' 57' ' ' TYR . 0.9 OUTLIER 162.85 -25.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.559 ' O ' ' CE1' ' A' ' 57' ' ' TYR . 21.5 p90 -105.55 152.95 22.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 86.0 m -42.47 148.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.29 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -104.12 172.6 6.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.5 t -88.61 130.56 35.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.42 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 t -174.73 164.64 3.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.4 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 2.0 pp -126.33 119.56 27.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 67' ' ' ILE . 4.3 p-10 -90.37 -169.36 2.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.232 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' ASP . 49.0 tt0 -37.39 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.501 ' CG2' ' OD1' ' A' ' 114' ' ' ASN . 4.2 mp -91.05 103.61 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -31.75 -39.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 67' ' ' ILE . 1.4 m -43.04 94.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' GLY . 8.0 t -82.93 154.73 24.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 108.259 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.584 ' CZ2' ' HG3' ' A' ' 101' ' ' ARG . 0.7 OUTLIER -126.25 118.38 23.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 108.005 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.97 72.58 4.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.962 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 72' ' ' PRO . 5.7 tm0? 59.86 146.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.326 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.54 ' OG ' ' CZ2' ' A' ' 109' ' ' TRP . 1.2 m -144.47 172.34 13.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.442 ' HB1' ' CB ' ' A' ' 78' ' ' ALA . . . -91.66 150.89 41.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 147.48 34.22 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.577 1.83 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 38.64 39.04 0.76 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.442 ' CB ' ' HB1' ' A' ' 75' ' ' ALA . . . -107.88 2.08 23.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 54.71 98.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.58 HG12 ' CZ3' ' A' ' 71' ' ' TRP . 53.4 t -95.09 60.72 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.588 ' CG ' ' CD2' ' A' ' 100' ' ' TYR . 0.8 OUTLIER -79.47 144.36 34.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.173 . . . . 0.0 110.245 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 99' ' ' ALA . 5.1 ptp180 177.2 150.89 0.37 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.46 ' C ' ' HD3' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -74.94 -160.22 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.549 1.815 . . . . 0.0 110.991 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.451 ' N ' ' HD3' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -131.45 63.58 70.15 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 108.308 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.46 ' HD3' ' C ' ' A' ' 83' ' ' PRO . 18.2 Cg_endo -75.0 68.41 5.76 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.553 1.817 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.567 ' O ' ' C ' ' A' ' 87' ' ' TYR . 5.6 pt-20 168.01 126.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.567 ' C ' ' O ' ' A' ' 86' ' ' GLU . 31.2 m-85 -21.0 93.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.723 ' CZ ' ' CG2' ' A' ' 91' ' ' ILE . 8.4 p90 -107.13 -0.44 22.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 89' ' ' ASN . 34.0 p30 172.92 53.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.54 -51.03 2.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.723 ' CG2' ' CZ ' ' A' ' 88' ' ' PHE . 0.7 OUTLIER -77.27 129.39 37.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 0.739 . . . . 0.0 109.266 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -78.27 -138.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -112.66 66.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -118.9 -38.56 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.466 ' OG1' ' N ' ' A' ' 96' ' ' THR . 0.2 OUTLIER -74.84 173.55 10.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.419 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.466 ' N ' ' OG1' ' A' ' 95' ' ' THR . 9.1 t -104.77 51.36 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.362 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.45 ' NH1' ' OG1' ' A' ' 95' ' ' THR . 15.3 mmp_? -78.39 166.82 22.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 110.237 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 -143.47 155.36 44.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.522 ' C ' ' CD1' ' A' ' 100' ' ' TYR . . . -134.42 174.02 10.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.588 ' CD2' ' CG ' ' A' ' 81' ' ' GLU . 53.8 m-85 -153.34 136.36 15.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.994 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -140.51 38.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -35.31 126.29 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.605 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 1.0 OUTLIER -90.29 148.9 22.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 108.276 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.4 mp -86.43 150.35 24.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.081 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -77.46 1.65 18.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -96.82 2.69 52.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 79.19 45.2 9.05 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.5 p -134.81 157.13 47.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.741 . . . . 0.0 110.384 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.605 ' CZ3' ' SG ' ' A' ' 103' ' ' CYS . 0.4 OUTLIER -77.82 -169.39 1.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 107.975 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.57 -167.38 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.227 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 p -87.21 -43.02 12.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.986 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -168.59 158.34 9.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.452 ' HB ' ' CG ' ' A' ' 101' ' ' ARG . 9.9 p -118.17 166.84 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.501 ' OD1' ' CG2' ' A' ' 67' ' ' ILE . 16.2 m120 61.85 97.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.452 ' N ' ' CD1' ' A' ' 115' ' ' TYR . 4.1 p90 -177.26 -37.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.472 ' O ' ' CG ' ' A' ' 117' ' ' HIS . 0.1 OUTLIER -57.43 -18.9 20.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.472 ' CG ' ' O ' ' A' ' 116' ' ' SER . 1.6 m-70 171.58 41.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.585 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.604 ' SG ' ' CD2' ' A' ' 88' ' ' PHE . 17.1 t -127.19 -58.51 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 108.239 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 1.4 tp10 -54.13 -53.29 60.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.383 1.052 . . . . 0.0 110.258 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.1 Cg_endo -74.99 66.36 6.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.392 1.733 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.49 ' CD1' ' C ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -97.87 118.58 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 121' ' ' ILE . 0.5 OUTLIER -40.56 104.74 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.288 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -170.47 62.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.04 173.39 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 126' ' ' GLN . 0.0 OUTLIER -147.16 51.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 125' ' ' LYS . 0.7 OUTLIER 37.72 56.15 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.37 164.97 0.43 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.531 1.145 . . . . 0.0 110.361 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.82 -58.54 2.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.23 176.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.72 116.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 12.2 tp -173.81 134.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 53.59 172.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.637 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 52.1 t80 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.951 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 m 62.84 150.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 0.743 . . . . 0.0 109.999 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 18' ' ' MET . . . -96.88 -90.66 1.85 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' GLY . 19.3 mmm 37.81 77.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 111.041 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.43 130.07 3.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.91 147.07 37.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.6 p -109.99 -44.29 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.389 1.055 . . . . 0.0 110.331 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -158.76 -64.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 109.266 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 69.84 165.98 0.28 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.077 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.12 176.55 8.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.94 135.72 20.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.439 ' O ' ' CB ' ' A' ' 27' ' ' GLU . 19.3 p90 -176.76 167.23 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 111.023 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 0.6 OUTLIER 82.24 172.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? 65.16 86.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -110.79 -55.31 2.5 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 110.345 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.3 148.84 0.19 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.62 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -162.95 127.21 2.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.446 1.092 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -170.26 166.98 8.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -136.97 157.31 74.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.456 1.766 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.63 135.94 51.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.96 -71.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 38' ' ' THR . . . 48.44 91.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 37' ' ' GLY . 67.6 p 37.38 -155.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.761 . . . . 0.0 110.424 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.471 ' O ' ' CG2' ' A' ' 39' ' ' THR . 1.2 m -80.47 67.4 6.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt 58.59 -147.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.236 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.67 29.17 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.344 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 44' ' ' TYR . 2.9 mp0 45.84 60.14 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -38.68 97.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.429 ' N ' ' O ' ' A' ' 42' ' ' GLU . 0.7 OUTLIER 179.5 142.74 0.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 68.33 102.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 108.308 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -69.81 149.41 47.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.475 ' O ' ' CG2' ' A' ' 48' ' ' THR . 0.0 OUTLIER -101.06 -30.12 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 2.1 t 44.91 45.75 8.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 50' ' ' ILE . 12.8 t -61.66 -155.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.42 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.418 ' N ' ' OG1' ' A' ' 49' ' ' THR . 1.8 tt -39.34 136.84 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 39.78 -105.8 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.545 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 34.7 m-80 -105.1 -64.38 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 109.212 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -163.39 138.39 6.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.82 -55.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.69 97.56 0.05 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.445 1.09 . . . . 0.0 110.977 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -64.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.055 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -99.22 179.88 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.2 m -96.77 105.38 17.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.402 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.473 ' CB ' ' HD3' ' A' ' 76' ' ' PRO . 10.3 p90 -121.94 170.95 9.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' TYR . 8.6 m -40.39 146.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 108.296 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -112.28 171.04 7.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 8.8 t -88.2 129.72 35.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 110.38 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -171.5 158.9 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.364 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 pp -100.58 147.14 26.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' OD2' ' NH1' ' A' ' 101' ' ' ARG . 1.5 t70 -105.52 -152.85 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.397 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.47 -7.18 59.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.485 ' CD1' HG13 ' A' ' 113' ' ' VAL . 3.6 mt -104.13 37.6 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.347 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 31.9 45.87 0.19 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.468 HG21 ' CD1' ' A' ' 71' ' ' TRP . 5.2 t -124.68 114.92 19.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.28 104.25 14.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.556 1.16 . . . . 0.0 108.303 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.586 ' CE3' HG11 ' A' ' 80' ' ' VAL . 67.6 m95 -79.23 128.63 75.13 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 107.992 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.01 74.9 3.86 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.406 ' O ' ' OG ' ' A' ' 74' ' ' SER . 4.7 mt-30 54.2 167.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.527 ' OG ' ' CZ2' ' A' ' 109' ' ' TRP . 1.7 m -169.2 174.65 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.28 147.49 33.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 59' ' ' TYR . 18.4 Cg_endo -75.01 154.16 42.24 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.431 1.753 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 52.77 19.47 6.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.155 . . . . 0.0 111.059 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.04 -154.62 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 0.782 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.02 96.53 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.586 HG11 ' CE3' ' A' ' 71' ' ' TRP . 2.3 t -90.35 62.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 100' ' ' TYR . 0.4 OUTLIER -95.16 140.79 29.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.447 ' N ' ' HD3' ' A' ' 83' ' ' PRO . 69.4 mtt-85 -134.44 62.03 52.83 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.501 ' HB3' ' CB ' ' A' ' 98' ' ' ASN . 18.3 Cg_endo -75.02 166.52 29.01 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.571 1.827 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.51 ' SG ' ' CG2' ' A' ' 96' ' ' THR . 1.7 p -126.92 98.88 29.9 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 108.274 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -171.25 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.413 ' HA ' ' HA ' ' A' ' 92' ' ' LYS . 19.0 pt-20 -41.06 153.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.456 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 34.0 t80 43.87 82.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.622 ' CE1' ' O ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -122.54 -2.49 8.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 88' ' ' PHE . 8.8 p30 155.15 -22.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -147.07 -108.97 0.55 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.161 . . . . 0.0 110.958 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.622 ' O ' ' CE1' ' A' ' 88' ' ' PHE . 1.4 tp -78.91 -179.71 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 0.727 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.418 ' O ' HG22 ' A' ' 91' ' ' ILE . 3.6 ptpt -78.55 -173.31 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.605 ' O ' ' CG ' ' A' ' 93' ' ' TYR . 19.5 p90 -88.64 114.83 25.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.538 ' ND2' ' N ' ' A' ' 94' ' ' ASN . 0.0 OUTLIER -122.1 -42.16 2.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.32 61.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.379 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.51 ' CG2' ' SG ' ' A' ' 84' ' ' CYS . 9.9 t -89.58 20.38 4.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.482 ' O ' ' C ' ' A' ' 98' ' ' ASN . 3.3 mpt_? 48.6 62.45 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.349 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.501 ' CB ' ' HB3' ' A' ' 83' ' ' PRO . 0.4 OUTLIER -34.16 145.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.238 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.422 ' HB2' ' C ' ' A' ' 114' ' ' ASN . . . -92.47 147.93 22.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 35.3 p90 177.03 130.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.484 ' HG3' ' CB ' ' A' ' 113' ' ' VAL . 0.0 OUTLIER -140.26 66.59 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.248 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' ARG . 1.1 pm0 -37.25 122.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -86.27 121.77 29.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 108.298 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.3 mt -56.89 163.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.86 0.7 17.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.08 -2.68 42.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.94 36.86 17.45 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.403 ' O ' ' SG ' ' A' ' 103' ' ' CYS . 26.0 p -120.72 168.0 11.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 110.417 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.527 ' CZ2' ' OG ' ' A' ' 74' ' ' SER . 76.0 m95 -89.19 -172.03 3.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 108.049 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.39 -141.95 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.0 -46.19 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 110.001 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.48 117.05 32.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.485 HG13 ' CD1' ' A' ' 67' ' ' ILE . 10.9 p -114.78 163.42 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.627 ' O ' ' CD1' ' A' ' 115' ' ' TYR . 13.8 m-20 -158.43 172.33 18.53 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.627 ' CD1' ' O ' ' A' ' 114' ' ' ASN . 0.0 OUTLIER -164.83 -70.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.9 p -68.97 -99.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.947 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 48.57 23.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.594 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.3 -38.89 3.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 108.304 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.535 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -45.61 -49.3 36.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.592 1.182 . . . . 0.0 110.327 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.1 Cg_endo -75.08 52.07 2.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.573 1.828 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.505 HG21 ' CE1' ' A' ' 88' ' ' PHE . 0.4 OUTLIER -136.21 -175.73 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.3 -179.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -179.29 38.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.1 t0 178.11 164.28 0.69 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.74 131.43 34.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.52 124.11 26.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.97 144.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.66 153.96 33.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -63.46 166.25 6.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -151.28 166.0 32.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 70.45 124.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -162.49 93.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.435 1.084 . . . . 0.0 111.059 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -131.84 174.86 9.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 0.795 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.42 129.48 2.47 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -178.91 174.93 1.06 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.442 0.731 . . . . 0.0 110.978 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt 67.15 -73.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' MET . 0.9 OUTLIER 63.91 173.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.594 1.184 . . . . 0.0 110.305 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.0 t -164.94 153.24 11.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.28 -54.2 1.03 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.57 1.169 . . . . 0.0 109.273 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 62.52 135.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.451 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -152.85 -179.8 7.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 tptp -40.69 103.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 23.8 m-85 -103.24 174.77 5.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 8.0 pt-20 47.53 -174.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 53.59 20.55 2.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.77 -73.58 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.177 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 175.86 106.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.602 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 14.6 ptt? -146.6 26.77 1.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.1 t0 54.21 171.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 m -41.62 151.77 0.3 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.441 1.758 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -68.3 154.99 40.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.25 -79.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.6 165.18 30.61 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 t -171.66 39.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 110.383 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 t -129.08 32.89 4.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.84 162.63 39.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.16 10.52 39.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 42' ' ' GLU . 1.5 tm-20 -120.25 15.63 12.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -69.25 -55.61 10.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CE1' ' HB3' ' A' ' 70' ' ' CYS . 25.3 p90 -82.39 48.1 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.662 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 12.4 m -140.04 -69.78 0.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 108.324 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.662 ' CD2' ' O ' ' A' ' 45' ' ' CYS . 1.1 p-80 40.65 27.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.662 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' CYS . 1.5 mpt_? -115.28 -87.07 0.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 48' ' ' THR . 1.3 t 39.35 33.56 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.427 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.449 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 4.8 p -99.46 -177.51 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.5 OUTLIER 38.86 90.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.24 -70.44 0.15 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.435 1.085 . . . . 0.0 111.046 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.1 m-20 -112.22 -14.19 13.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -178.16 151.92 0.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.12 73.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.89 147.88 6.68 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -92.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.425 ' HA ' ' CG1' ' A' ' 50' ' ' ILE . 0.4 OUTLIER 177.39 -144.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 54.1 m 63.08 33.42 14.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 75' ' ' ALA . 87.5 t80 -172.65 143.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' SER . 4.5 m -74.85 131.23 40.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 108.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 49' ' ' THR . 15.8 t-20 -113.9 164.25 14.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.465 ' CG2' ' SG ' ' A' ' 70' ' ' CYS . 71.8 m -69.62 118.26 12.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 110.372 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.67 158.46 44.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.178 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 pp -129.83 118.52 21.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.442 1.088 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -93.01 -152.94 0.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.605 1.191 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -47.64 -23.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.505 ' CG2' ' HB ' ' A' ' 69' ' ' THR . 3.2 mm -96.08 104.06 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -34.13 -49.21 0.62 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.505 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -38.77 112.0 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 0.738 . . . . 0.0 110.394 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.495 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -89.38 122.96 33.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.482 ' CZ2' HG22 ' A' ' 113' ' ' VAL . 58.0 m95 -92.46 141.9 25.3 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 108.017 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 149.94 37.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.57 1.826 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.453 ' N ' ' OG1' ' A' ' 62' ' ' THR . 0.0 OUTLIER -49.87 163.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.322 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.53 ' O ' ' CE1' ' A' ' 59' ' ' TYR . 16.6 m -165.92 -174.49 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.573 ' HA ' ' CD1' ' A' ' 59' ' ' TYR . . . -101.41 168.72 8.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.597 1.186 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HB3' ' N ' ' A' ' 107' ' ' GLY . 18.1 Cg_endo -75.06 147.27 33.48 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.0 29.82 76.39 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.444 1.09 . . . . 0.0 111.09 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.75 -148.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 0.727 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -171.76 83.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.613 1.196 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.472 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 43.9 t -100.3 60.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.61 134.42 38.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 13.9 ptp180 -156.75 62.58 2.87 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.34 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 84' ' ' CYS . 18.3 Cg_endo -74.91 141.59 27.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.487 ' CA ' ' HB3' ' A' ' 98' ' ' ASN . 0.8 OUTLIER -38.24 98.87 0.18 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.155 . . . . 0.0 108.304 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.517 ' O ' ' O ' ' A' ' 86' ' ' GLU . 18.4 Cg_endo -74.9 16.3 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.556 ' CB ' ' CD1' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -37.53 163.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.47 ' O ' ' O ' ' A' ' 89' ' ' ASN . 6.1 p90 -71.88 -27.08 62.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.556 ' CD1' ' CB ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -42.65 -26.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.493 ' ND2' ' CE1' ' A' ' 88' ' ' PHE . 28.7 p30 -106.62 -167.06 1.24 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -95.89 55.63 1.6 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.442 ' N ' ' OD1' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -168.79 142.95 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 0.78 . . . . 0.0 109.256 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.414 ' N ' HD13 ' A' ' 91' ' ' ILE . 7.1 mttt -81.85 148.43 28.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.472 ' HB3' ' C ' ' A' ' 85' ' ' PRO . 48.9 p90 -108.46 147.21 31.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -119.24 -39.09 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.6 p -108.71 -167.22 1.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.8 t -121.9 -39.87 2.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.9 mtt85 -56.98 114.65 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.487 ' HB3' ' CA ' ' A' ' 84' ' ' CYS . 0.5 OUTLIER -115.99 125.97 53.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 82' ' ' ARG . . . 172.12 111.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.229 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.719 ' CE2' ' CE2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -101.46 140.55 35.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 111.095 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.475 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -148.67 123.04 9.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -95.93 153.67 17.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.83 122.08 46.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 108.302 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 mt -62.96 177.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.355 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.88 1.5 46.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.634 1.209 . . . . 0.0 110.231 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.52 -0.12 43.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.421 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 80.79 35.79 24.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.2 p -118.5 168.29 10.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 0.781 . . . . 0.0 110.452 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -91.36 -173.54 3.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 108.011 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.55 -168.5 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 m -84.12 -59.98 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.981 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.591 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -136.89 131.33 32.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.513 ' O ' ' CB ' ' A' ' 114' ' ' ASN . 3.0 p -81.32 -176.05 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 113' ' ' VAL . 1.8 t-20 83.23 -64.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.719 ' CE2' ' CE2' ' A' ' 100' ' ' TYR . 46.8 m-85 55.97 116.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 84.8 p -77.33 1.37 19.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.476 ' O ' ' N ' ' A' ' 119' ' ' GLU . 50.8 m-70 -91.48 24.92 2.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.534 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.476 ' SG ' ' N ' ' A' ' 84' ' ' CYS . 2.7 t -67.86 70.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 108.269 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 117' ' ' HIS . 2.1 mm-40 57.51 92.43 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.59 1.181 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 122' ' ' LEU . 18.5 Cg_endo -75.03 131.71 14.57 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.5 mm -54.76 92.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.479 ' O ' ' CD1' ' A' ' 122' ' ' LEU . 3.9 pp -175.15 43.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -98.22 -171.16 2.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 60.57 156.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.87 162.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.75 177.62 6.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.15 139.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -112.06 167.59 10.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.11 174.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.4 t0 178.95 167.9 0.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 70.08 178.56 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.65 133.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.57 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -141.79 153.69 44.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 0.781 . . . . 0.0 110.021 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.8 -173.68 38.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.6 mtm -141.0 127.06 19.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.72 66.67 9.57 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -75.49 171.22 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 m -152.83 80.72 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.08 57.32 2.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -170.51 174.4 5.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 63.3 137.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.08 175.98 3.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -110.45 167.91 9.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -134.8 129.37 34.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 110.309 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 45.29 78.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -119.26 -45.48 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.91 -171.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.614 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -171.54 33.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.08 22.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 m -146.54 154.41 48.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.944 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.483 1.781 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -41.8 136.92 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tp -98.42 58.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.357 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.496 ' O ' ' CG2' ' A' ' 38' ' ' THR . . . -73.46 81.18 0.73 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 37' ' ' GLY . 9.5 t 47.17 -172.54 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.511 0.771 . . . . 0.0 110.355 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.436 ' N ' ' OG1' ' A' ' 38' ' ' THR . 2.9 m -87.18 93.15 9.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.435 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.52 149.54 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.423 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -97.56 11.05 38.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' GLN . 3.9 tt0 -119.71 24.25 10.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' GLU . 1.7 tp-100 -38.7 -73.12 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 110.261 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -94.68 169.9 9.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.1 m 63.34 127.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.269 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -169.38 115.48 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.171 . . . . 0.0 109.552 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.534 ' O ' ' CG2' ' A' ' 48' ' ' THR . 16.0 ptm180 -109.49 2.41 20.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.367 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.534 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 6.2 t 47.91 50.64 15.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.413 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.3 p 38.6 -155.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.1 mm -85.39 -63.26 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.245 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' ' N ' ' A' ' 53' ' ' PHE . . . -174.11 -174.88 41.3 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.553 1.158 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.5 m120 44.55 27.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 0.81 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.485 ' O ' ' CB ' ' A' ' 54' ' ' SER . 21.0 m-85 44.86 93.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 53' ' ' PHE . 0.8 OUTLIER 85.06 49.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.566 1.166 . . . . 0.0 109.933 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.34 -131.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 111.095 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.586 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 18.0 Cg_endo -75.03 -81.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.667 ' CD1' ' N ' ' A' ' 58' ' ' THR . 0.1 OUTLIER 45.87 178.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.667 ' N ' ' CD1' ' A' ' 57' ' ' TYR . 0.8 OUTLIER 162.44 -22.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.437 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.468 ' O ' ' C ' ' A' ' 60' ' ' CYS . 18.1 p90 -76.73 171.2 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 59' ' ' TYR . 15.1 m -36.74 133.89 0.53 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 108.264 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.494 ' ND2' ' H ' ' A' ' 62' ' ' THR . 3.9 t30 -101.03 -173.25 2.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.071 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.494 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 10.9 t -97.94 136.0 38.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 t -176.38 158.92 1.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.182 . . . . 0.0 110.444 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.423 ' CD2' ' O ' ' A' ' 41' ' ' LEU . 1.2 pp -110.25 175.51 5.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD2' ' NH2' ' A' ' 101' ' ' ARG . 2.2 t0 -121.57 -160.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -84.95 1.02 49.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' GLY . 0.8 OUTLIER -115.55 38.34 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 35.47 49.35 0.94 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.526 ' HB ' ' CE2' ' A' ' 71' ' ' TRP . 0.6 OUTLIER -114.25 85.55 2.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 110.413 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.0 t -72.19 118.46 15.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.278 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CZ3' HG13 ' A' ' 80' ' ' VAL . 54.0 m95 -111.43 121.18 40.91 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 108.042 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.1 Cg_endo -75.02 154.02 42.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.479 ' HG3' ' CD ' ' A' ' 47' ' ' ARG . 4.1 mt-30 -37.62 150.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.392 1.058 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -158.07 170.42 22.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.021 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.405 ' O ' ' SG ' ' A' ' 60' ' ' CYS . . . -78.2 154.56 79.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.411 ' HD3' ' CB ' ' A' ' 59' ' ' TYR . 18.2 Cg_endo -75.0 149.43 36.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.64 21.06 78.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.146 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.55 -161.62 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.66 107.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.377 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.559 HG13 ' CZ3' ' A' ' 71' ' ' TRP . 49.0 t -86.15 53.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.506 ' O ' ' CG ' ' A' ' 82' ' ' ARG . 6.2 mt-10 -78.73 146.37 33.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 99' ' ' ALA . 24.5 mtt-85 -161.94 120.76 1.42 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.399 1.062 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 160.31 40.46 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.508 ' O ' ' CD2' ' A' ' 93' ' ' TYR . 2.7 m -57.28 148.18 54.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 108.337 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 178.55 7.09 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.801 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -78.24 125.42 29.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.05 -50.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.642 ' CD1' ' N ' ' A' ' 89' ' ' ASN . 30.0 p90 -100.3 -40.23 7.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.642 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 15.9 p30 -88.51 161.92 16.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -89.88 44.24 2.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.117 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.48 HG22 ' CD2' ' A' ' 93' ' ' TYR . 0.8 OUTLIER -107.07 -170.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.94 65.45 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.508 ' CD2' ' O ' ' A' ' 84' ' ' CYS . 5.8 m-85 -85.15 144.85 27.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.428 ' N ' HD21 ' A' ' 94' ' ' ASN . 2.2 m-80 -105.07 -25.84 12.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 p -40.66 131.7 2.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.43 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 67.3 p -45.84 -61.06 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.476 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -149.91 170.23 19.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.082 . . . . 0.0 110.372 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.585 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 8.6 p30 -62.19 161.36 11.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.573 ' HA ' ' CD1' ' A' ' 115' ' ' TYR . . . 174.67 -177.32 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.338 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.435 ' CB ' ' O ' ' A' ' 99' ' ' ALA . 0.1 OUTLIER 166.93 59.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.44 ' NH2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -96.22 169.83 9.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.241 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -131.87 153.0 50.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.363 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.58 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -117.72 128.98 55.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.318 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.6 mt -70.18 163.92 25.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.429 1.081 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -80.83 1.39 30.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.233 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.57 -0.43 45.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.76 53.91 3.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 109' ' ' TRP . 0.6 OUTLIER -146.3 175.05 10.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.341 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.58 ' CZ3' ' SG ' ' A' ' 103' ' ' CYS . 89.4 m95 -108.64 -171.2 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 108.001 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.06 179.36 4.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.343 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.1 m -58.49 -50.37 73.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.092 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -160.42 155.82 25.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.428 1.08 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.35 142.92 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.494 ' ND2' ' H ' ' A' ' 116' ' ' SER . 0.5 OUTLIER -50.0 -59.9 3.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 98' ' ' ASN . 0.4 OUTLIER 35.25 43.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.494 ' H ' ' ND2' ' A' ' 114' ' ' ASN . 0.3 OUTLIER -123.34 -0.46 8.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.031 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 119' ' ' GLU . 7.8 m80 -139.49 51.96 1.74 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.576 1.173 . . . . 0.0 109.628 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.418 ' C ' ' SG ' ' A' ' 84' ' ' CYS . 40.4 t -69.55 67.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 108.278 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 117' ' ' HIS . 39.3 mm-40 50.62 84.15 0.21 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 121' ' ' ILE . 18.1 Cg_endo -75.08 60.42 5.5 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.433 1.754 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.479 ' CG2' ' O ' ' A' ' 121' ' ' ILE . 3.9 mm 39.28 82.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.136 . . . . 0.0 109.367 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.5 tp -143.44 108.86 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -173.07 66.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.432 1.082 . . . . 0.0 109.26 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -170.62 167.38 7.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -151.05 72.61 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -95.51 112.73 24.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -178.17 161.54 1.49 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.437 1.086 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.23 110.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.243 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 129' ' ' TYR . 17.1 p90 -154.51 141.59 19.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 176.75 165.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.2 tp -165.79 115.02 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -165.99 173.12 10.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.597 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 4.9 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 111.019 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.7 t 65.83 100.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 0.736 . . . . 0.0 110.007 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -111.92 -157.76 14.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.42 170.87 15.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 0.804 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.59 145.95 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.14 143.45 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.3 t -172.74 149.6 2.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -160.5 163.4 32.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.29 158.61 16.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.357 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -179.44 153.23 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.05 172.95 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -118.34 174.23 6.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.81 153.51 45.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -123.48 168.28 12.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -93.31 -55.64 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 56.81 164.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.65 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 tpt -177.79 159.2 1.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.404 1.065 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.05 163.28 9.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.417 1.073 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.38 160.19 27.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.953 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.452 1.764 . . . . 0.0 111.06 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.47 132.39 56.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mt -138.13 66.19 1.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.34 52.4 36.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.472 ' HB ' ' CD1' ' A' ' 41' ' ' LEU . 7.5 m -68.7 -134.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.786 . . . . 0.0 110.404 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.402 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 24.9 m -71.52 103.48 2.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.448 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 mp 61.16 -109.23 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.472 ' CD1' ' HB ' ' A' ' 38' ' ' THR . 0.7 OUTLIER 54.53 18.19 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.468 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 3.8 tt0 76.47 33.09 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.528 ' HG3' ' CD1' ' A' ' 44' ' ' TYR . 4.2 pt20 -46.54 172.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.528 ' CD1' ' HG3' ' A' ' 43' ' ' GLN . 2.4 p90 -37.23 118.85 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.429 ' CB ' HG22 ' A' ' 62' ' ' THR . 20.1 m -134.03 -58.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 108.243 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -43.73 165.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.557 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -120.34 -47.86 2.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.409 ' O ' ' OG1' ' A' ' 49' ' ' THR . 0.4 OUTLIER 177.37 -38.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.351 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.508 ' O ' ' CG2' ' A' ' 50' ' ' ILE . 2.2 p 57.72 110.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.428 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' A' ' 49' ' ' THR . 8.6 tt 52.91 172.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.64 50.16 4.36 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.545 1.153 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.1 t30 179.3 142.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.358 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -58.08 126.77 28.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m 50.63 75.03 0.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.585 1.178 . . . . 0.0 109.945 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.484 ' HA3' ' CG2' ' A' ' 50' ' ' ILE . . . -70.92 -150.81 0.71 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -91.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.542 1.811 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.521 ' HA ' ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER 175.32 -143.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 111.027 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 57' ' ' TYR . 53.2 m 67.91 11.21 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.521 ' CE2' ' HA ' ' A' ' 57' ' ' TYR . 7.9 p90 -130.76 146.56 52.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' SER . 5.8 m -50.26 131.35 23.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -105.65 165.29 11.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.429 HG22 ' CB ' ' A' ' 45' ' ' CYS . 52.4 m -64.75 119.96 11.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.0 m -143.61 136.09 27.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 0.3 OUTLIER -146.77 165.27 30.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 66' ' ' GLN . 0.5 OUTLIER -169.42 -160.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' ASP . 1.6 mm-40 -36.59 -54.26 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.572 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -133.85 59.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.615 ' O ' ' CD1' ' A' ' 71' ' ' TRP . . . -99.08 -2.99 56.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.726 ' CG2' ' CZ2' ' A' ' 71' ' ' TRP . 3.0 t 38.49 28.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 68' ' ' GLY . 0.6 OUTLIER 50.02 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 108.272 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.726 ' CZ2' ' CG2' ' A' ' 69' ' ' THR . 88.4 m95 -98.61 110.5 57.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 108.0 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.1 Cg_endo -74.98 148.81 35.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -39.0 159.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' CYS . 1.1 m -164.75 -174.77 3.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.04 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.73 169.31 8.02 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 154.65 42.71 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.435 1.755 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 60.8 47.56 90.59 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.568 1.168 . . . . 0.0 111.12 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -126.86 125.05 40.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.08 85.72 7.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.486 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 41.2 t -75.26 59.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -91.69 141.82 28.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -129.76 68.69 80.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 103.03 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.9 m 60.28 156.29 0.1 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.279 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.454 ' HG3' ' CB ' ' A' ' 95' ' ' THR . 18.4 Cg_endo -75.03 -91.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.808 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.59 ' OE2' ' CD1' ' A' ' 88' ' ' PHE . 7.1 tt0 -40.44 162.65 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.583 1.177 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.51 ' O ' ' C ' ' A' ' 88' ' ' PHE . 1.4 t80 -95.27 -53.1 3.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.608 ' CG ' ' N ' ' A' ' 89' ' ' ASN . 2.6 p90 -27.96 -44.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.608 ' N ' ' CG ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -154.24 -68.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.088 . . . . 0.0 109.208 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 159.0 -51.51 0.39 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.5 tp -75.44 86.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 0.747 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.501 ' CB ' ' CE1' ' A' ' 88' ' ' PHE . 0.0 OUTLIER 179.18 38.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 94' ' ' ASN . 0.3 OUTLIER -170.29 168.92 7.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.541 HD21 ' N ' ' A' ' 95' ' ' THR . 0.1 OUTLIER -52.06 -99.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.541 ' N ' HD21 ' A' ' 94' ' ' ASN . 6.2 m 61.06 116.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.407 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.0 m -81.33 -32.75 32.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.368 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 179.89 131.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.234 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.483 ' H ' ' ND2' ' A' ' 98' ' ' ASN . 1.3 m-80 -64.25 179.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.588 ' O ' ' CD1' ' A' ' 100' ' ' TYR . . . 173.64 170.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 99' ' ' ALA . 22.9 m-85 -143.23 139.42 30.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -136.01 127.52 28.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -110.65 145.92 37.11 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.3 OUTLIER -120.74 112.91 19.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.3 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.2 mt -56.88 178.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -83.39 1.39 41.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.83 1.63 40.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.58 23.02 61.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.0 p -105.4 151.37 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.466 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 101' ' ' ARG . 10.6 m95 -75.07 -171.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.93 -151.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.2 p -85.35 -71.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.93 150.31 49.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.584 HG23 ' CZ2' ' A' ' 71' ' ' TRP . 9.3 p -107.71 109.27 27.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.571 ' O ' ' CG ' ' A' ' 115' ' ' TYR . 4.3 p-10 175.91 119.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.571 ' CG ' ' O ' ' A' ' 114' ' ' ASN . 84.1 m-85 -165.59 115.12 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 111.051 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.4 ' C ' ' N ' ' A' ' 118' ' ' CYS . 15.8 m -76.06 -98.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 54.7 15.59 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.546 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.4 ' N ' ' C ' ' A' ' 116' ' ' SER . 13.2 t -122.01 -43.95 2.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 108.287 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.552 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 0.7 OUTLIER -46.65 -48.61 48.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.352 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.3 Cg_endo -74.98 57.72 4.65 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 111.048 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.512 ' CD1' ' ND2' ' A' ' 89' ' ' ASN . 4.5 tt -96.38 53.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 121' ' ' ILE . 0.3 OUTLIER 38.87 47.29 1.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.1 t70 178.52 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -176.4 169.13 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.364 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.74 126.91 45.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.15 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -45.97 168.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -134.14 55.72 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.5 pttt 41.71 81.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -115.08 139.06 50.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 171.27 161.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.39 113.38 1.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.484 ' O ' ' C ' ' A' ' 133' ' ' TYR . 0.3 OUTLIER 179.9 128.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.0 109.631 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.484 ' C ' ' O ' ' A' ' 132' ' ' HIS . 4.1 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -179.69 -60.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 109.989 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 45.48 -128.65 8.79 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.066 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.0 mtt 57.6 81.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 111.076 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.57 136.66 1.68 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.544 1.153 . . . . 0.0 109.351 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.515 ' O ' ' C ' ' A' ' 21' ' ' THR . 1.7 pt-20 -171.55 169.45 6.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.563 ' OG1' ' N ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER 29.01 -96.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 110.362 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.563 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . 80.28 -61.7 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -178.98 175.95 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -174.07 79.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.29 179.06 7.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -86.32 172.82 10.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.118 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.77 130.32 39.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.6 141.76 47.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.11 -75.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.235 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 70.54 61.79 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.588 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.4 ' O ' ' CG ' ' A' ' 31' ' ' MET . 1.5 ptt? -179.23 113.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.61 99.8 9.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.234 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 m 60.23 149.73 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.041 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -162.24 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.435 1.755 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.44 122.05 15.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.91 99.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.44 52.5 0.53 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.8 p 43.98 -166.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.0 m -127.29 48.54 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 42' ' ' GLU . 1.2 pp -45.05 111.98 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER 40.25 32.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 44' ' ' TYR . 3.3 pm0 37.56 56.75 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.341 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.45 ' OE1' ' N ' ' A' ' 43' ' ' GLN . 20.2 pm0 -40.34 -28.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -179.3 -54.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.986 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 73.53 61.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 108.324 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.529 ' CD2' ' C ' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -139.21 91.34 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.59 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.439 ' C ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -46.59 -74.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -159.67 -59.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.425 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 49' ' ' THR . 5.5 t 34.25 50.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.474 HD13 ' CD ' ' A' ' 56' ' ' PRO . 0.8 OUTLIER 57.02 164.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.46 -119.98 4.17 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.481 1.113 . . . . 0.0 111.058 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 54.36 22.62 3.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.461 0.742 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.498 ' O ' ' CB ' ' A' ' 54' ' ' SER . 1.2 m-85 42.69 47.69 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 53' ' ' PHE . 0.4 OUTLIER 159.91 -57.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.472 ' HA2' ' CG2' ' A' ' 50' ' ' ILE . . . 106.95 171.56 22.52 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.56 1.163 . . . . 0.0 111.07 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.474 ' CD ' HD13 ' A' ' 50' ' ' ILE . 18.3 Cg_endo -75.06 -69.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 110.941 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.454 ' CG ' ' N ' ' A' ' 58' ' ' THR . 85.4 t80 -50.11 175.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.454 ' N ' ' CG ' ' A' ' 57' ' ' TYR . 22.2 m -103.72 57.97 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CD2' ' O ' ' A' ' 74' ' ' SER . 0.8 OUTLIER -80.78 169.47 17.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.0 m -81.96 153.87 26.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 108.266 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -102.08 170.1 8.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.23 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.9 t -95.56 141.82 28.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -173.11 158.89 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.361 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 pp -96.15 162.58 13.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -110.58 -157.63 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.0 -10.97 59.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.321 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 68' ' ' GLY . 5.6 pt -101.69 38.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.341 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 33.23 45.64 0.3 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.546 1.154 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.42 ' O ' ' CD1' ' A' ' 71' ' ' TRP . 60.8 m -119.19 109.41 15.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.53 122.69 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 108.354 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.571 ' CE3' HG13 ' A' ' 80' ' ' VAL . 60.8 m95 -103.96 122.9 42.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -75.05 143.28 28.7 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.444 1.76 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.534 ' NE2' ' H ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -38.06 152.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.584 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 11.4 m -151.28 -170.93 3.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.404 ' HA ' ' CE1' ' A' ' 59' ' ' TYR . . . -95.27 156.22 37.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.87 42.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 111.036 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.02 50.81 61.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.416 ' O ' ' CD2' ' A' ' 79' ' ' LEU . . . -121.36 -164.15 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 0.75 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.416 ' CD2' ' O ' ' A' ' 78' ' ' ALA . 1.7 mm? -140.31 100.46 3.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.571 HG13 ' CE3' ' A' ' 71' ' ' TRP . 58.2 t -101.24 53.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.442 ' CB ' ' HA ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -98.57 130.74 45.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.356 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 99' ' ' ALA . 4.3 mmt180 -102.83 117.48 60.54 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 149.3 36.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 81.3 m -50.29 160.06 0.76 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 108.305 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.58 ' O ' ' CB ' ' A' ' 86' ' ' GLU . 18.5 Cg_endo -74.99 -11.76 21.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.404 1.739 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.58 ' CB ' ' O ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER 93.11 -165.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.244 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.468 ' CG ' ' O ' ' A' ' 87' ' ' TYR . 13.6 t80 42.56 25.84 0.05 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.461 1.1 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.605 ' CG ' ' N ' ' A' ' 89' ' ' ASN . 1.4 t80 -108.29 -74.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.605 ' N ' ' CG ' ' A' ' 88' ' ' PHE . 2.9 m-80 30.3 60.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.481 ' C ' ' CE1' ' A' ' 88' ' ' PHE . . . 143.13 -67.26 0.45 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.413 ' HB ' ' O ' ' A' ' 90' ' ' GLY . 1.4 tp 173.89 100.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 0.747 . . . . 0.0 109.307 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.27 37.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.445 ' O ' ' O ' ' A' ' 94' ' ' ASN . 8.4 p90 -96.64 162.81 13.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.655 ' ND2' ' N ' ' A' ' 94' ' ' ASN . 0.0 OUTLIER -38.39 -91.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.405 ' N ' HD21 ' A' ' 94' ' ' ASN . 4.5 t -168.9 -42.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.2 m -135.02 81.18 1.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.4 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.586 ' O ' ' O ' ' A' ' 98' ' ' ASN . 0.0 OUTLIER -143.04 -164.82 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 110.325 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.586 ' O ' ' O ' ' A' ' 97' ' ' ARG . 11.3 p30 53.36 154.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.568 ' CB ' ' O ' ' A' ' 98' ' ' ASN . . . 158.55 168.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.367 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.442 ' HA ' ' CB ' ' A' ' 81' ' ' GLU . 46.1 m-85 -148.76 106.12 3.64 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -135.09 126.79 29.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.241 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.37 157.19 21.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.7 125.99 53.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.585 1.178 . . . . 0.0 108.255 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.1 162.64 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.76 1.44 20.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -98.93 -0.17 42.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.37 40.03 14.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.409 1.068 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.8 p -127.8 163.63 23.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 0.786 . . . . 0.0 110.369 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -91.75 -172.44 3.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.35 -174.88 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.357 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.74 -42.65 73.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.958 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 175.56 127.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 99' ' ' ALA . 2.4 p -40.6 158.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.5 ' C ' ' CD2' ' A' ' 115' ' ' TYR . 0.6 OUTLIER -158.35 172.0 19.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.5 ' CD2' ' C ' ' A' ' 114' ' ' ASN . 2.4 p90 -176.19 112.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.3 -36.86 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -83.66 6.71 19.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.634 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.27 -15.43 13.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 108.316 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.41 ' N ' ' HD3' ' A' ' 120' ' ' PRO . 4.3 pt-20 -137.23 64.08 45.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 119' ' ' GLU . 18.3 Cg_endo -75.01 -162.67 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.552 1.817 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 60.54 151.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.29 59.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -74.47 65.82 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.27 161.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -102.63 109.13 20.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.61 1.194 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -102.76 -103.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.4 102.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.37 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.439 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -152.09 132.36 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 128' ' ' LYS . 2.5 m-85 -170.1 40.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -86.44 151.67 23.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.0 tt -170.89 -41.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -120.77 171.9 8.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.123 . . . . 0.0 109.618 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.0 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.22 169.07 11.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.783 . . . . 0.0 110.019 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.05 169.37 34.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.81 152.78 38.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 0.743 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.12 105.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.33 166.26 29.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.399 1.062 . . . . 0.0 110.375 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.3 t -171.14 151.49 3.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.392 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 179.56 178.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -148.96 175.11 11.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.299 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.93 135.99 9.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.595 1.184 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -167.9 102.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -170.21 177.11 4.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -143.32 -162.76 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 3.3 ptp180 -122.82 89.15 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -115.93 -35.49 4.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -55.64 -175.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.588 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 ttm 178.72 178.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -143.98 164.97 29.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.5 m -141.75 147.22 44.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.981 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.14 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.8 148.29 24.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -146.88 84.18 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.88 154.64 25.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.092 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 40' ' ' LEU . 67.5 m 61.45 135.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.774 . . . . 0.0 110.442 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.454 ' O ' ' CG2' ' A' ' 39' ' ' THR . 11.8 t -37.68 95.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.8 pp -109.54 -61.88 1.57 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -174.47 52.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' TYR . 0.9 OUTLIER 80.68 39.33 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.407 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 1.6 pt20 -38.17 -31.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' GLU . 0.5 OUTLIER 179.0 153.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.49 -172.09 1.97 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.547 1.155 . . . . 0.0 108.286 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.413 ' O ' ' CB ' ' A' ' 72' ' ' PRO . 3.6 t-160 -52.58 125.99 18.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.607 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.575 ' O ' ' CB ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -45.47 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.253 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.575 ' CB ' ' O ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER 87.64 31.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.391 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.546 ' O ' ' C ' ' A' ' 50' ' ' ILE . 2.2 t -165.44 -156.18 0.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.165 . . . . 0.0 110.388 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.546 ' C ' ' O ' ' A' ' 49' ' ' THR . 5.1 tt 28.98 -94.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 49' ' ' THR . . . 81.13 -46.87 3.47 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.405 1.065 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -154.02 -49.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 0.802 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.554 ' O ' ' CB ' ' A' ' 54' ' ' SER . 36.5 m-85 -46.62 -65.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 53' ' ' PHE . 1.1 t 89.34 132.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.057 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.537 ' N ' ' HD3' ' A' ' 56' ' ' PRO . . . 33.33 57.29 0.55 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.537 ' HD3' ' N ' ' A' ' 55' ' ' GLY . 18.2 Cg_endo -75.09 -64.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.64 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -136.08 141.42 44.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.1 m -46.0 114.56 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.64 ' CE1' ' CD1' ' A' ' 57' ' ' TYR . 1.4 m-85 -127.99 158.56 37.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' SER . 80.4 m -64.43 155.21 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 108.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.452 ' O ' ' CD1' ' A' ' 109' ' ' TRP . 20.7 t30 -88.84 155.24 19.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 15.4 t -80.38 147.34 31.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.45 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -179.96 160.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pp -101.34 176.4 5.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -123.16 176.47 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -62.05 -22.85 66.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.348 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.0 pt -97.24 38.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 42.27 26.75 0.38 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.51 ' CG2' ' NE1' ' A' ' 71' ' ' TRP . 30.9 m -88.58 105.76 17.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 110.422 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.88 151.03 45.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 108.284 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.545 ' CZ2' HG13 ' A' ' 113' ' ' VAL . 95.0 m95 -147.06 100.27 3.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.025 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -74.94 155.66 43.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.533 1.807 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 72' ' ' PRO . 4.2 mt-30 -34.93 149.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.579 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 1.8 m -156.05 -157.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.94 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.59 148.48 36.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 77' ' ' GLY . 18.1 Cg_endo -75.06 149.96 37.19 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.552 1.817 . . . . 0.0 110.965 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 76' ' ' PRO . . . 34.79 50.78 0.79 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 79' ' ' LEU . . . -113.14 -6.84 13.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 0.785 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER 47.57 100.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.633 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 1.3 p -72.53 58.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.96 126.33 30.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.519 ' N ' ' HD3' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -157.94 58.45 1.42 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.519 ' HD3' ' N ' ' A' ' 82' ' ' ARG . 18.4 Cg_endo -74.97 100.88 1.4 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.535 1.808 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER 54.09 103.68 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 108.256 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.444 ' CD ' ' HA ' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -75.08 -70.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.453 1.765 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.548 ' OE2' ' CG ' ' A' ' 93' ' ' TYR . 7.8 tp10 56.33 163.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.418 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 1.1 t80 -68.27 -51.09 48.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.545 ' CE1' ' O ' ' A' ' 89' ' ' ASN . 3.8 p90 -89.27 -24.84 21.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.545 ' O ' ' CE1' ' A' ' 88' ' ' PHE . 0.3 OUTLIER 81.62 114.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.465 ' HA3' ' CE1' ' A' ' 88' ' ' PHE . . . 150.34 -34.88 0.98 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.552 1.158 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.498 ' CG2' ' N ' ' A' ' 92' ' ' LYS . 2.2 mm -92.67 163.85 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.498 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -80.64 84.56 6.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.548 ' CG ' ' OE2' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -127.07 48.66 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 96' ' ' THR . 3.2 p30 -94.63 1.9 55.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 96' ' ' THR . 74.3 p 48.0 -91.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 94' ' ' ASN . 95.1 m -77.5 51.92 0.93 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 110.428 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 56.09 164.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -114.45 -175.44 2.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.429 ' HB3' ' CH2' ' A' ' 71' ' ' TRP . . . -171.11 -176.03 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.603 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 0.1 OUTLIER 169.69 110.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.383 1.052 . . . . 0.0 111.01 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.681 ' NE ' ' CE3' ' A' ' 109' ' ' TRP . 5.3 ptt180 -145.84 146.56 31.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -76.91 147.83 36.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 108' ' ' THR . 0.5 OUTLIER -111.9 164.89 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 108.35 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.1 mt -91.01 151.18 21.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.6 -2.52 23.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.0 -0.53 44.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.63 48.32 4.52 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.404 ' O ' ' SG ' ' A' ' 103' ' ' CYS . 1.0 OUTLIER -138.88 147.76 42.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.415 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.681 ' CE3' ' NE ' ' A' ' 101' ' ' ARG . 96.4 m95 -76.97 -171.58 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 107.983 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.02 -135.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.1 p -99.55 -49.96 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.025 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.73 141.69 19.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.545 HG13 ' CZ2' ' A' ' 71' ' ' TRP . 9.3 p -110.11 130.1 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.615 ' O ' ' CD1' ' A' ' 115' ' ' TYR . 4.1 t-20 160.13 135.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 114' ' ' ASN . 47.0 m-85 -156.81 112.85 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 83.6 p -76.39 2.3 13.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -74.9 1.52 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.607 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 84' ' ' CYS . 0.0 OUTLIER -89.06 -39.34 13.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.477 ' CB ' ' HD3' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -43.21 -55.99 7.19 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 119' ' ' GLU . 18.4 Cg_endo -74.98 149.93 37.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.1 tt -71.79 122.25 23.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 2.2 pp -174.35 46.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.95 99.23 4.37 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -178.81 91.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.267 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? 42.65 62.62 1.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.27 119.3 38.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.583 1.177 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.11 144.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -124.23 117.97 25.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' A' ' 129' ' ' TYR . 45.7 p90 -58.11 133.12 55.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -161.28 166.37 27.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.3 tp -162.18 157.63 23.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.34 148.62 21.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.591 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 63.7 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.5 m 61.64 124.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.37 -176.28 17.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.0 ttm -149.52 124.93 10.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.67 -75.56 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -172.92 162.26 4.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 m -161.45 115.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 173.48 129.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -178.67 157.75 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.545 ' HB1' ' CZ ' ' A' ' 26' ' ' PHE . . . -104.79 156.16 18.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.01 80.86 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.545 ' CZ ' ' HB1' ' A' ' 24' ' ' ALA . 9.9 p90 -178.47 47.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 174.51 111.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.85 44.03 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.641 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -110.94 -77.94 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.641 ' CD2' ' O ' ' A' ' 29' ' ' GLN . 1.2 p-80 37.2 32.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.077 . . . . 0.0 109.636 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' GLN . 2.5 ptt? -140.01 132.56 28.7 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.26 118.26 11.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.0 m -150.9 152.42 31.72 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.586 1.179 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -101.75 139.28 37.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.65 -65.92 0.82 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.85 32.89 3.42 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.118 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.8 m -86.37 -1.06 57.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.419 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 41' ' ' LEU . 9.4 t -175.44 55.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.437 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' THR . 0.2 OUTLIER -38.33 97.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 39' ' ' THR . 1.8 pp -93.39 28.15 2.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER 82.12 56.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 110.254 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' GLU . 2.8 mt-30 -36.13 152.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.357 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -68.53 95.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 76.1 m -48.99 -78.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.244 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.413 ' CD2' ' N ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -152.78 -54.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.564 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.566 ' O ' ' N ' ' A' ' 49' ' ' THR . 6.1 tpt180 -81.53 -70.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.512 ' OG1' ' N ' ' A' ' 49' ' ' THR . 1.9 p 64.69 -59.63 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.443 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.566 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER 59.69 149.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 51' ' ' GLY . 0.2 OUTLIER 45.62 -169.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.495 ' N ' ' CG2' ' A' ' 50' ' ' ILE . . . -138.61 79.23 0.3 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.155 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.3 t30 178.61 -68.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.242 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -179.15 -62.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.7 p -112.24 147.94 35.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.443 ' CA ' HD13 ' A' ' 50' ' ' ILE . . . -135.98 -136.97 3.62 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.667 ' O ' ' CG ' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -75.02 -157.89 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.526 1.803 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.692 ' CG ' ' CE2' ' A' ' 59' ' ' TYR . 11.8 p90 43.63 -175.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.947 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.9 m -146.82 15.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.35 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.692 ' CE2' ' CG ' ' A' ' 57' ' ' TYR . 2.4 p90 -82.18 179.28 7.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.7 m -69.25 125.65 27.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.265 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -107.18 163.02 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.242 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 0.8 OUTLIER -56.25 123.63 15.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 64' ' ' LEU . 1.6 m -152.38 160.44 43.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.419 ' N ' HG23 ' A' ' 63' ' ' THR . 0.7 OUTLIER -121.88 126.4 48.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 67' ' ' ILE . 3.8 t70 -91.91 -170.63 2.61 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -39.48 -29.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.51 ' CD1' ' CG2' ' A' ' 69' ' ' THR . 20.8 pt -93.91 106.6 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -30.62 -42.18 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.596 ' O ' ' CD1' ' A' ' 71' ' ' TRP . 9.7 t -36.2 96.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 0.794 . . . . 0.0 110.4 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 68' ' ' GLY . 8.9 t -52.5 168.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.272 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.617 ' CH2' HG21 ' A' ' 113' ' ' VAL . 21.1 m95 -134.91 128.19 18.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.01 139.22 24.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.55 1.816 . . . . 0.0 111.053 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -35.32 142.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.97 177.24 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.8 160.92 25.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.41 ' HB3' ' N ' ' A' ' 107' ' ' GLY . 18.5 Cg_endo -74.92 147.02 33.73 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.445 1.761 . . . . 0.0 110.998 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.48 10.76 84.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.34 -165.7 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 pp -174.29 123.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.512 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 25.1 t -99.55 62.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 109.219 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -78.49 129.43 34.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.451 ' N ' ' HD3' ' A' ' 83' ' ' PRO . 11.8 ptt180 -165.73 61.85 0.76 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 82' ' ' ARG . 18.4 Cg_endo -74.94 127.3 10.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.811 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.473 ' N ' ' SG ' ' A' ' 118' ' ' CYS . 59.1 m 62.97 138.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 108.314 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -22.43 14.92 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.5 177.82 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.383 1.052 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -150.75 38.08 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.031 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.618 ' CG ' ' N ' ' A' ' 89' ' ' ASN . 16.0 p90 -121.29 -47.28 2.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.618 ' N ' ' CG ' ' A' ' 88' ' ' PHE . 1.1 t-20 83.44 122.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.485 ' CA ' HD11 ' A' ' 121' ' ' ILE . . . 160.5 -87.59 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.502 ' C ' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -175.07 92.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.436 0.727 . . . . 0.0 109.33 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.4 tptt 179.38 49.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.539 ' O ' ' CD1' ' A' ' 93' ' ' TYR . 40.9 p90 -102.63 130.37 49.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 111.003 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.541 ' ND2' ' H ' ' A' ' 94' ' ' ASN . 0.2 OUTLIER -103.96 -4.54 23.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 80.4 p 46.25 87.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.0 m -104.73 -52.65 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.406 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.74 78.33 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -128.1 170.61 12.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 82' ' ' ARG . . . 171.19 -167.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.43 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 0.6 OUTLIER -176.21 126.88 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.481 ' HG3' ' CG2' ' A' ' 113' ' ' VAL . 0.3 OUTLIER -148.96 141.63 24.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -103.5 144.83 30.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.47 106.95 17.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.328 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.7 mt -53.33 165.73 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -77.04 1.21 18.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -99.94 -2.17 35.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.41 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 79.58 50.41 5.69 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.431 1.082 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 82.7 p -140.89 138.95 34.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 0.712 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.45 ' CE3' ' HB3' ' A' ' 101' ' ' ARG . 71.4 m95 -65.94 -171.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 107.961 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.44 -150.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.89 -43.83 5.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.486 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 3.7 ttm180 -141.78 143.71 33.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.617 HG21 ' CH2' ' A' ' 71' ' ' TRP . 4.0 p -114.8 179.26 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 113' ' ' VAL . 2.6 t30 82.98 -58.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.486 ' CE1' ' O ' ' A' ' 112' ' ' ARG . 30.1 m-85 55.87 115.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.96 1.37 20.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.943 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.547 ' O ' ' CD2' ' A' ' 117' ' ' HIS . 0.1 OUTLIER -104.41 32.02 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 84' ' ' CYS . 48.9 t -38.78 -50.08 1.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 108.267 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -171.11 91.14 0.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.33 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.7 3.72 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.538 1.809 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.485 HD11 ' CA ' ' A' ' 90' ' ' GLY . 2.5 mt -56.0 134.29 19.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.2 pp -84.67 107.79 17.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -123.44 169.98 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 20.4 t70 60.18 97.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 174.58 7.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -62.46 -103.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.229 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 68.32 -171.41 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -83.56 86.78 7.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 54.16 176.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.054 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -179.45 145.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.3 tt -154.16 131.12 10.93 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -96.54 172.46 7.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.607 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 93.4 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.993 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.0 p -178.61 154.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 0.783 . . . . 0.0 109.97 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.02 179.28 37.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -148.23 171.53 15.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -126.51 -72.61 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.367 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 57.59 100.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 1.058 . . . . 0.0 110.26 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -141.85 136.82 30.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.68 174.61 8.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.341 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.99 179.52 4.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 25' ' ' LYS . . . -161.59 -107.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER 41.48 -161.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.07 . . . . 0.0 109.338 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 6.2 m-85 -175.69 -176.91 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -139.72 154.63 47.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 110.277 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -115.11 148.36 39.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -120.9 -54.09 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.45 ' CD2' ' H ' ' A' ' 31' ' ' MET . 1.9 t-160 64.63 -162.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.635 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.45 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -160.87 175.51 12.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.957 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.3 159.59 3.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 m -134.37 152.15 77.53 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.426 1.75 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -126.36 136.31 52.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 mp -90.83 -69.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.26 -141.94 45.26 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 m 60.05 82.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 110.392 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 m 62.74 109.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.434 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.92 146.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.175 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mt -129.22 8.49 5.56 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.611 1.195 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.89 15.07 18.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 52.31 177.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -91.08 72.22 6.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -51.04 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 108.307 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 47' ' ' ARG . 22.2 p-80 -61.5 -156.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.606 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.455 ' N ' ' CD2' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -117.38 -95.44 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 169.29 121.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.416 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.51 ' CG2' ' O ' ' A' ' 49' ' ' THR . 0.9 OUTLIER -172.18 33.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.094 . . . . 0.0 110.371 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.1 tt -159.74 150.83 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 132.73 -61.63 0.65 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -113.27 -13.85 12.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 0.81 . . . . 0.0 109.337 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -166.91 158.59 12.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.98 123.7 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.64 1.212 . . . . 0.0 109.969 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.436 ' N ' ' HD3' ' A' ' 56' ' ' PRO . . . -134.11 62.35 0.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 55' ' ' GLY . 18.3 Cg_endo -74.96 -179.54 5.07 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.461 1.769 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 178.18 -143.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.6 m 54.16 19.38 2.11 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CD2' ' O ' ' A' ' 74' ' ' SER . 0.8 OUTLIER -119.29 164.75 15.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 74' ' ' SER . 11.2 m -69.13 136.02 51.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.285 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -86.05 152.4 22.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 t -73.05 130.07 39.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 t -167.1 156.76 10.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.435 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.413 ' CD2' ' C ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -119.46 159.5 24.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.248 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -134.14 -153.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.26 -26.11 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.347 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.538 ' CG2' ' ND2' ' A' ' 114' ' ' ASN . 12.6 pt -101.05 101.24 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.444 1.09 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -34.71 -36.37 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.482 ' CG2' HD13 ' A' ' 67' ' ' ILE . 12.6 t -41.55 98.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.76 . . . . 0.0 110.435 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.6 t -66.12 137.6 57.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 108.316 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.498 ' CZ3' ' CG1' ' A' ' 80' ' ' VAL . 77.7 m95 -109.14 117.7 52.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.014 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.1 Cg_endo -75.03 143.93 29.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -37.07 153.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 110.32 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.584 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -156.07 -170.44 3.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.036 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.566 ' CB ' ' CZ ' ' A' ' 59' ' ' TYR . . . -94.51 166.71 14.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.244 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 151.16 39.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.544 1.813 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 46.97 47.1 19.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 79' ' ' LEU . . . -101.2 -9.69 21.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 0.723 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER 39.0 90.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.514 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 25.6 t -77.02 61.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -78.1 119.97 22.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 -124.02 73.89 56.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.49 ' C ' ' SG ' ' A' ' 84' ' ' CYS . 18.3 Cg_endo -75.03 103.76 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.49 ' SG ' ' C ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER 53.53 171.62 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 108.325 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -70.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.543 1.812 . . . . 0.0 111.065 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -107.77 -173.23 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.604 1.19 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.28 83.81 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 111.056 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 89' ' ' ASN . 25.3 p90 -121.36 -47.75 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.546 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 0.3 OUTLIER 72.49 84.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.277 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.491 ' O ' ' CG2' ' A' ' 91' ' ' ILE . . . 164.95 -91.99 0.11 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.439 1.087 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.491 ' CG2' ' O ' ' A' ' 90' ' ' GLY . 1.3 pp -161.99 34.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.79 54.64 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -105.81 149.25 26.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.583 ' N ' HD21 ' A' ' 94' ' ' ASN . 1.1 m-80 -115.18 -69.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.558 ' O ' ' CB ' ' A' ' 96' ' ' THR . 31.5 p -151.0 -165.9 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.558 ' CB ' ' O ' ' A' ' 95' ' ' THR . 0.6 OUTLIER 87.03 -34.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 1.104 . . . . 0.0 110.455 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.445 ' N ' HG22 ' A' ' 96' ' ' THR . 0.4 OUTLIER 62.32 163.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.286 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -106.15 154.6 20.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -176.49 -170.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.422 ' C ' HG11 ' A' ' 113' ' ' VAL . 53.7 t80 -161.45 100.24 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.552 ' HB3' ' CZ3' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -104.53 93.58 4.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.224 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -81.03 122.37 27.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.298 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.598 ' SG ' ' CE3' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -103.88 139.31 39.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 108.32 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.2 158.63 26.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.81 -2.49 20.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.62 1.27 56.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 77.58 46.78 9.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.445 1.09 . . . . 0.0 111.088 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.7 p -131.23 173.1 11.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 110.487 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.598 ' CE3' ' SG ' ' A' ' 103' ' ' CYS . 6.9 m95 -105.3 179.53 4.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.73 -153.14 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.54 -74.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.552 ' O ' ' CZ ' ' A' ' 115' ' ' TYR . 0.7 OUTLIER -105.42 121.57 44.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 110.245 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 101' ' ' ARG . 41.9 t -124.92 117.06 49.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.25 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.538 ' ND2' ' CG2' ' A' ' 67' ' ' ILE . 11.7 t-20 174.53 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.605 ' N ' ' CD1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -59.78 76.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 114' ' ' ASN . 2.3 p -77.62 -34.12 53.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 70.65 31.59 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.612 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER -106.4 -29.2 9.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.365 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.619 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 7.3 tt0 -68.96 -43.96 27.71 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.5 Cg_endo -75.01 58.16 4.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.538 1.809 . . . . 0.0 111.066 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.37 159.03 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.07 77.44 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 45.6 p-10 -142.11 89.68 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.96 97.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.04 128.42 47.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -100.58 164.63 11.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.88 158.97 37.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.37 177.67 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -164.21 172.91 13.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -112.51 165.98 11.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.35 143.74 4.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 31.9 p-80 -128.45 171.83 11.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.534 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 44.1 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.2 p -142.26 169.35 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.043 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.86 147.87 43.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.433 1.083 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.22 133.49 50.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 0.76 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -124.51 114.94 20.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -144.0 146.22 32.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.26 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -168.21 136.09 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.439 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -154.4 176.6 12.13 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 64.38 131.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.7 88.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.78 99.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -160.32 171.73 18.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.58 -102.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.322 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -128.59 59.47 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.358 1.036 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -62.23 -66.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.527 ' O ' ' C ' ' A' ' 31' ' ' MET . 14.4 t-160 -163.52 90.71 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.597 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.527 ' C ' ' O ' ' A' ' 30' ' ' HIS . 2.7 ptt? 25.51 90.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -84.7 144.74 28.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.604 1.19 . . . . 0.0 109.364 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.54 161.07 0.12 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -162.25 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.58 132.78 36.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.224 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.16 -81.0 0.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.377 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.53 142.58 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.5 t -88.96 23.32 2.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 0.737 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 40' ' ' LEU . 9.0 t -145.24 -140.19 0.11 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.429 ' N ' ' OG1' ' A' ' 39' ' ' THR . 0.1 OUTLIER -91.74 -68.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 pp -158.76 51.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 63.1 17.97 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 45' ' ' CYS . 0.3 OUTLIER 49.39 -178.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -63.88 76.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 46' ' ' HIS . 1.6 m -53.19 -58.39 7.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 108.302 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 45' ' ' CYS . 5.0 t60 -36.86 144.36 0.07 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.492 1.12 . . . . 0.0 109.61 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -63.26 -86.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.347 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.513 ' CB ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 165.42 -40.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.496 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.1 OUTLIER 165.97 171.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 110.397 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.508 ' CD1' ' O ' ' A' ' 56' ' ' PRO . 1.7 mp -76.38 -53.63 14.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.19 -36.06 0.12 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.555 1.159 . . . . 0.0 110.944 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 54' ' ' SER . 4.7 t30 -94.63 52.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 0.736 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 65.93 -69.07 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 111.056 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 52' ' ' ASN . 3.8 t -160.28 57.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.84 -89.19 0.36 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.508 ' O ' ' CD1' ' A' ' 50' ' ' ILE . 18.2 Cg_endo -75.0 178.82 6.76 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.547 ' O ' ' CB ' ' A' ' 58' ' ' THR . 5.5 t80 179.5 -174.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.547 ' CB ' ' O ' ' A' ' 57' ' ' TYR . 4.0 m 85.47 32.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -120.83 147.07 45.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.7 m -44.42 128.64 6.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 108.273 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -108.66 166.32 10.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 73' ' ' GLN . 98.2 m -64.86 122.13 16.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 t -147.98 158.64 44.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.399 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 pp -91.94 140.43 29.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -93.74 -171.43 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -71.37 -12.82 61.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.9 pt -103.93 38.73 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 36.92 45.39 1.08 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.511 HG23 ' CD1' ' A' ' 71' ' ' TRP . 3.7 t -120.62 117.71 28.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 0.727 . . . . 0.0 110.439 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.9 t -99.87 110.15 22.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 108.274 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.573 ' CH2' HG21 ' A' ' 113' ' ' VAL . 23.7 m0 -95.46 157.4 36.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 108.002 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.0 146.91 33.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.446 ' N ' ' OG1' ' A' ' 62' ' ' THR . 4.1 pp0? -44.05 169.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.42 170.53 22.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.936 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.33 159.15 45.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 146.25 32.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.428 1.752 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.84 4.86 59.77 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.28 -150.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.73 . . . . 0.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.65 94.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.1 t -93.61 61.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.494 ' HA ' ' CB ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -96.07 150.06 20.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 110.262 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.404 ' N ' ' HD3' ' A' ' 83' ' ' PRO . 1.9 ptp180 -157.44 64.15 3.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 84' ' ' CYS . 18.1 Cg_endo -75.03 132.29 15.21 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.777 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.428 ' O ' ' O ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER 62.33 134.44 0.04 OUTLIER Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.454 1.096 . . . . 0.0 108.336 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.548 ' HB3' ' CG ' ' A' ' 93' ' ' TYR . 18.3 Cg_endo -74.98 -158.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.532 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 0.6 OUTLIER -120.34 -144.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.14 . . . . 0.0 110.254 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.532 ' HB3' ' O ' ' A' ' 86' ' ' GLU . 0.7 OUTLIER 60.27 -80.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 92' ' ' LYS . 40.9 p90 -102.02 -32.8 9.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 88' ' ' PHE . 11.5 t-20 85.27 119.04 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.236 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.09 -90.48 0.13 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 179.54 96.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER 176.02 43.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.548 ' CG ' ' HB3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -93.05 -156.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -33.68 -60.12 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.504 ' CB ' ' O ' ' A' ' 94' ' ' ASN . 0.1 OUTLIER 165.54 -32.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.373 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.3 p -46.95 -39.96 13.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 98' ' ' ASN . 5.2 mtt180 63.34 172.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.346 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' A' ' 99' ' ' ALA . 1.0 OUTLIER -40.06 144.79 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 98' ' ' ASN . . . 167.62 118.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.494 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 15.7 p90 -134.78 144.53 47.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.061 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.494 ' HG3' ' CB ' ' A' ' 113' ' ' VAL . 2.0 mtt180 -133.74 127.09 32.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.22 141.22 28.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.252 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.439 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 1.6 m -104.77 111.96 24.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 108.269 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.94 163.53 11.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -77.42 1.33 19.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.7 -3.3 49.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.17 43.17 8.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.1 p -132.03 163.91 27.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 0.73 . . . . 0.0 110.405 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.468 ' CE3' ' HB3' ' A' ' 101' ' ' ARG . 14.6 m95 -87.93 -173.13 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.445 ' O ' ' NH2' ' A' ' 101' ' ' ARG . . . -91.38 -162.2 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.4 p -70.07 -51.98 27.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.074 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.446 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -179.04 121.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.576 ' O ' ' CB ' ' A' ' 114' ' ' ASN . 0.3 OUTLIER -48.85 178.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.664 ' O ' ' CD1' ' A' ' 115' ' ' TYR . 5.7 t-20 89.54 -144.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.695 ' CG ' ' O ' ' A' ' 115' ' ' TYR . 25.6 p90 35.15 91.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.57 1.169 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 117' ' ' HIS . 65.5 p -122.25 -69.98 0.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 109.983 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.425 ' N ' ' OG ' ' A' ' 116' ' ' SER . 21.3 m-70 79.59 11.57 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.662 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -53.57 56.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -148.92 95.86 3.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 121' ' ' ILE . 18.3 Cg_endo -75.05 93.3 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.466 1.771 . . . . 0.0 111.03 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.535 ' CG2' ' O ' ' A' ' 121' ' ' ILE . 4.1 tp 34.3 50.73 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 123' ' ' ASP . 0.1 OUTLIER -67.74 142.92 56.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.254 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 122' ' ' LEU . 1.0 OUTLIER 156.76 111.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.93 101.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 126' ' ' GLN . 0.0 OUTLIER -155.33 -160.76 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 125' ' ' LYS . 0.4 OUTLIER 34.28 88.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 122.01 23.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.04 -169.75 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 130' ' ' ASP . 39.3 t80 59.26 151.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.959 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 1.3 p30 162.13 167.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.361 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.3 143.46 32.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -177.37 155.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.612 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 13.4 t80 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.956 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 p -168.5 117.4 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 0.722 . . . . 0.0 109.949 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 19' ' ' LYS . . . 135.25 -40.2 1.58 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 44.1 mmm 53.17 -90.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 17' ' ' GLY . 14.1 mttp -112.59 -61.32 1.74 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 176.23 170.5 0.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 110.232 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.0 t -105.74 164.75 11.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.4 121.81 21.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -176.95 127.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.45 153.84 41.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.25 138.84 49.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -105.63 175.72 5.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 63.04 164.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.46 131.63 56.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -87.86 -76.22 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 t60 75.71 143.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.575 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.3 mtt -77.83 74.35 4.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 61.32 147.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.6 151.59 39.7 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.443 1.759 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 40.2 -158.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 174.9 73.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.9 -56.89 0.58 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.447 1.092 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.4 p 39.83 59.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 0.743 . . . . 0.0 110.347 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 t -173.9 46.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.405 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 43' ' ' GLN . 0.4 OUTLIER -179.51 171.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 pp -131.61 9.37 4.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -120.79 13.06 11.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.231 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.445 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 7.7 tp60 48.52 -91.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.4 1.063 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -174.2 -60.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.4 m 43.97 73.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 108.302 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -104.11 117.25 33.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.586 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -117.19 -5.27 11.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 110.247 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 67.37 125.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 t -153.55 143.4 21.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.395 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' ASN . 5.3 mt 53.13 100.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.27 80.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.567 1.167 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' ILE . 14.4 t-20 -169.55 32.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 0.718 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 52' ' ' ASN . 0.1 OUTLIER 37.2 48.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.13 178.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.964 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.69 87.53 0.27 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.409 1.068 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -161.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.553 1.817 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.506 ' CG ' ' N ' ' A' ' 58' ' ' THR . 45.2 t80 54.2 168.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.506 ' N ' ' CG ' ' A' ' 57' ' ' TYR . 18.3 m -80.7 62.74 4.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.625 ' CE1' ' CB ' ' A' ' 75' ' ' ALA . 3.4 t80 -97.49 166.67 11.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 41.8 m -77.29 161.36 28.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.317 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -117.77 167.73 11.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.487 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 8.9 t -93.63 134.81 35.54 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.67 169.2 24.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.449 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.55 159.24 44.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -173.67 -164.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -37.7 -48.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.446 HD13 ' CD ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -132.49 35.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.624 ' O ' ' CD1' ' A' ' 71' ' ' TRP . . . -78.47 -17.2 78.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.645 ' CG2' ' CZ2' ' A' ' 71' ' ' TRP . 4.2 t 39.23 28.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' GLY . 5.9 t 45.63 83.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.645 ' CZ2' ' CG2' ' A' ' 69' ' ' THR . 87.0 m95 -79.03 114.72 46.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 107.963 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.46 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.9 64.76 5.98 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.46 ' O ' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER 40.5 -165.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.552 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 168.09 179.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.625 ' CB ' ' CE1' ' A' ' 59' ' ' TYR . . . -99.07 162.06 22.71 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 145.57 32.01 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 111.035 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 67.16 18.28 68.97 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.62 -155.94 0.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -164.0 113.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.519 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 25.3 t -110.9 61.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -100.77 143.13 31.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.501 ' N ' ' HD3' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -163.44 59.6 0.83 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.358 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.501 ' HD3' ' N ' ' A' ' 82' ' ' ARG . 18.4 Cg_endo -75.01 128.19 11.27 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.477 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 2.0 m 48.45 98.92 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 108.288 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 77.16 3.18 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 170.09 -160.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 0.7 OUTLIER 63.59 -135.61 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.734 ' CG ' ' N ' ' A' ' 89' ' ' ASN . 18.7 p90 -70.58 -55.44 8.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.734 ' N ' ' CG ' ' A' ' 88' ' ' PHE . 5.2 m-80 22.3 -90.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 88' ' ' PHE . . . 82.05 -9.62 56.38 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 111.06 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.503 ' CG2' ' N ' ' A' ' 92' ' ' LYS . 1.1 tp -96.88 -138.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.503 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 77.2 tttt -85.32 58.88 5.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.364 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.663 ' CD2' ' O ' ' A' ' 93' ' ' TYR . 35.7 p90 -103.95 53.11 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.73 -92.37 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.503 ' O ' ' CG2' ' A' ' 96' ' ' THR . 2.3 p -125.63 92.64 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.379 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 95' ' ' THR . 35.0 p -156.8 24.52 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 65.77 174.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.302 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 0.2 OUTLIER -112.03 114.96 28.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.362 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.473 ' HB3' ' CG2' ' A' ' 113' ' ' VAL . . . 176.55 -164.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.653 ' CD2' ' NE2' ' A' ' 117' ' ' HIS . 0.0 OUTLIER -154.96 124.31 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 111.028 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.477 ' CG ' HG23 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -149.63 122.09 8.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.94 162.14 14.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -113.33 113.84 25.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.3 mt -54.0 173.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -77.8 1.13 21.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -97.31 -1.85 43.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.33 23.11 61.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.596 1.185 . . . . 0.0 111.069 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.3 p -110.96 172.02 7.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 110.371 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.515 ' CZ2' ' HB3' ' A' ' 71' ' ' TRP . 56.2 m95 -92.19 -172.04 3.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.8 -170.44 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -60.05 3.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.446 ' CD ' HD13 ' A' ' 67' ' ' ILE . 2.3 ttt180 -178.78 128.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.477 HG23 ' CG ' ' A' ' 101' ' ' ARG . 0.8 OUTLIER -40.59 159.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.502 ' ND2' ' H ' ' A' ' 115' ' ' TYR . 6.0 t-20 -169.64 152.82 4.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.565 ' N ' ' CD1' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -111.21 82.88 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 111.001 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -119.29 1.43 11.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.653 ' NE2' ' CD2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -146.45 55.06 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 0.0 109.56 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 120' ' ' PRO . 0.7 OUTLIER -56.35 -61.19 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.307 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.08 78.42 9.84 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 121' ' ' ILE . 18.4 Cg_endo -74.97 -160.5 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 120' ' ' PRO . 3.1 mp -37.32 154.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.15 -170.05 2.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 6.6 t0 -116.76 153.07 33.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 123' ' ' ASP . 3.2 m-20 52.35 97.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 160.6 28.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.49 175.21 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -79.64 76.46 6.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.242 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.37 166.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 109.354 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -123.56 164.85 18.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -135.97 150.75 49.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.4 tp -175.74 100.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -152.72 170.59 19.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.601 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m 62.46 138.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.73 -123.71 1.49 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.586 1.179 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.0 mtm 60.78 140.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 111.006 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -145.77 158.28 43.87 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -177.23 169.78 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -132.72 155.69 48.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.47 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.61 165.69 15.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.632 1.208 . . . . 0.0 109.25 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.29 175.76 8.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -129.37 -113.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.81 150.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.223 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -120.25 175.83 5.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -140.21 88.94 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.344 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.71 170.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.24 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -72.81 -50.18 25.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.9 t60 65.31 172.56 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.567 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.4 ttt -110.38 178.78 4.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.435 1.084 . . . . 0.0 111.077 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -105.85 167.28 9.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.46 148.38 34.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.478 ' O ' ' O ' ' A' ' 35' ' ' ASP . 18.4 Cg_endo -74.95 174.8 12.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' O ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER 42.49 95.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.85 -42.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 38' ' ' THR . . . -56.62 -73.59 0.42 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 37' ' ' GLY . 14.3 t 49.62 23.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 110.373 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 37' ' ' GLY . 4.5 m -127.57 -144.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.419 ' N ' HD22 ' A' ' 40' ' ' LEU . 1.5 mt -71.26 -44.61 64.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 73.0 7.99 5.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.341 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -120.88 23.61 10.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -39.09 104.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 51.91 81.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.55 72.8 4.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 108.364 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.463 ' HA ' ' CG2' ' A' ' 62' ' ' THR . 13.9 t-160 -172.8 115.34 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.596 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.426 ' CG ' ' N ' ' A' ' 48' ' ' THR . 8.7 ptm180 -103.48 -38.97 6.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.526 ' O ' ' CB ' ' A' ' 49' ' ' THR . 0.5 OUTLIER 69.77 152.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.432 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.526 ' CB ' ' O ' ' A' ' 48' ' ' THR . 0.6 OUTLIER 83.91 -179.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.446 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.7 mt -151.78 -67.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.1 54.41 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -166.74 -63.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.754 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 54' ' ' SER . 9.2 p90 -172.71 -41.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 1.181 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.486 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 30.3 p -162.49 141.47 9.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.01 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -36.7 98.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -69.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.556 1.819 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.413 ' HE1' ' CD1' ' A' ' 59' ' ' TYR . 5.8 p90 -79.48 161.62 25.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 111.065 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 106' ' ' ASN . 4.4 t -69.01 98.38 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.399 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 74' ' ' SER . 20.1 t80 -114.89 159.3 20.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 74' ' ' SER . 10.0 m -75.1 133.21 41.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 108.342 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -93.16 168.08 11.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.463 ' CG2' ' HA ' ' A' ' 46' ' ' HIS . 5.9 t -90.06 130.46 36.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.427 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.41 172.84 2.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.391 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 pp -130.23 125.3 34.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -169.68 36.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.413 ' OE1' ' NE1' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -123.34 -65.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.267 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.529 HG23 ' CZ ' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -143.75 38.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.1 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.26 -3.76 65.48 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 m -88.57 148.51 24.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.445 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -114.76 120.75 41.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.572 ' CE3' HG12 ' A' ' 80' ' ' VAL . 0.4 OUTLIER -90.96 129.45 44.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.5 Cg_endo -74.96 83.27 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 72' ' ' PRO . 3.8 mt-30 47.64 -176.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.618 ' OG ' ' CH2' ' A' ' 109' ' ' TRP . 0.0 OUTLIER 176.48 179.01 0.21 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.087 . . . . 0.0 110.004 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 103' ' ' CYS . . . -112.68 166.8 10.28 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.04 30.99 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.551 1.817 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 56.43 16.14 14.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.79 -147.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.769 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.87 86.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.572 HG12 ' CE3' ' A' ' 71' ' ' TRP . 79.1 t -89.77 65.57 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 100' ' ' TYR . 23.4 mt-10 -74.34 139.91 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 99' ' ' ALA . 12.7 ttm-85 -156.06 135.03 7.71 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 137.75 22.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.651 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 1.7 m -45.59 113.23 1.89 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 108.281 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.588 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 18.3 Cg_endo -75.03 150.69 38.39 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.527 1.804 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.58 89.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' PRO . 2.4 t80 178.56 -35.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.651 ' CD2' ' HB3' ' A' ' 84' ' ' CYS . 2.3 p90 -35.7 -45.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 119' ' ' GLU . 67.7 m-20 -140.45 -62.07 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.23 58.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.577 1.173 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.2 tp -137.18 -176.11 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -78.63 110.26 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.574 ' O ' ' CG ' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -77.32 58.29 1.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.972 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -119.33 -43.41 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.426 ' O ' ' CG2' ' A' ' 96' ' ' THR . 1.1 t -121.36 162.51 20.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.439 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 95' ' ' THR . 1.2 t 43.25 85.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.411 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.18 135.68 10.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.434 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 0.3 OUTLIER -141.83 118.24 10.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 82' ' ' ARG . . . -151.6 52.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.443 ' O ' ' ND2' ' A' ' 114' ' ' ASN . 0.8 OUTLIER -100.03 161.71 13.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.621 HH21 ' N ' ' A' ' 110' ' ' ALA . 0.0 OUTLIER -160.35 142.47 12.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -103.85 129.46 51.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.349 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -68.35 130.29 42.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 108.375 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.79 160.5 9.36 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -69.86 -4.52 20.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.404 ' O ' ' OG1' ' A' ' 58' ' ' THR . 0.6 OUTLIER -99.73 8.09 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 70.68 15.01 73.12 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.6 p -89.43 176.89 6.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 0.729 . . . . 0.0 110.373 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.618 ' CH2' ' OG ' ' A' ' 74' ' ' SER . 4.5 m95 -93.84 179.15 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 108.033 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.621 ' N ' HH21 ' A' ' 101' ' ' ARG . . . -98.9 141.49 31.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.15 -51.28 4.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.597 1.186 . . . . 0.0 109.953 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -165.99 123.24 1.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 100' ' ' TYR . 12.5 p -42.68 146.74 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 100' ' ' TYR . 12.7 p30 -64.27 123.49 19.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.572 ' CZ ' ' SG ' ' A' ' 84' ' ' CYS . 0.2 OUTLIER -134.74 87.48 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 111.003 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.0 m -118.94 -62.98 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.045 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 119' ' ' GLU . 27.9 m-70 -95.35 21.77 7.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.584 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.537 ' SG ' ' CE2' ' A' ' 115' ' ' TYR . 37.9 t -68.69 71.68 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 108.33 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.604 ' CD ' ' CE1' ' A' ' 88' ' ' PHE . 0.9 OUTLIER 28.4 70.43 0.51 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.33 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 59.47 5.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.21 153.05 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.13 54.7 2.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 123' ' ' ASP . 2.8 p-10 -74.2 115.79 14.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 71.02 98.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.17 82.63 2.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.234 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 38.67 50.44 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 50.59 91.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -68.29 -12.84 61.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -165.47 153.54 11.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.27 120.25 2.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -166.23 65.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -151.17 137.3 18.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.597 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 33.9 t80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 p -135.01 155.06 51.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.57 133.36 1.5 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.4 mmm -91.3 169.17 11.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -174.39 113.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.176 . . . . 0.0 109.308 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.41 141.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.47 -43.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.399 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 63.15 152.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.75 155.22 3.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -136.19 174.65 10.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.585 ' O ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -95.1 144.43 25.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 2.0 m-85 177.12 95.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -145.26 172.38 13.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 56.72 63.19 2.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.42 -67.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -165.96 70.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.574 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.9 tmm? -80.99 113.53 19.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -48.53 164.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.206 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -45.51 150.19 0.93 Allowed Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -162.24 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -40.41 149.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 tt -50.69 -46.36 58.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.377 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.26 -105.16 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.2 m 53.71 22.78 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.757 . . . . 0.0 110.366 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -169.34 84.55 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.591 1.182 . . . . 0.0 110.345 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.37 119.77 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.37 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 pp -98.6 6.46 47.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.3 OUTLIER -106.01 17.75 23.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.357 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' GLU . 9.5 mm-40 -37.94 -56.04 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 44' ' ' TYR . 8.5 p90 -141.58 158.92 43.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.9 t -163.7 -45.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.153 . . . . 0.0 108.256 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -121.08 -151.04 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.605 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -12.6 59.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.351 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 49' ' ' THR . 0.5 OUTLIER 54.35 -173.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.389 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.58 ' O ' ' C ' ' A' ' 50' ' ' ILE . 0.6 OUTLIER 82.25 154.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.413 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.58 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -24.96 -62.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.499 ' O ' ' CG2' ' A' ' 49' ' ' THR . . . -155.92 -173.19 24.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' A' ' 53' ' ' PHE . 16.6 t30 -41.28 104.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 0.737 . . . . 0.0 109.219 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 0.1 OUTLIER 70.83 -58.07 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.71 63.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.02 89.61 0.1 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.414 1.071 . . . . 0.0 111.067 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.631 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 18.4 Cg_endo -74.98 -65.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.631 ' CD1' ' O ' ' A' ' 56' ' ' PRO . 29.4 p90 38.19 -163.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.498 ' N ' ' CD2' ' A' ' 57' ' ' TYR . 4.4 p -67.38 80.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.492 ' C ' ' CD1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -142.54 166.08 25.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 111.051 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.84 128.56 34.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 108.325 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 62' ' ' THR . 16.6 t-20 -90.96 163.28 14.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.26 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 13.0 t -85.42 114.01 22.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -148.33 159.8 43.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.08 . . . . 0.0 110.442 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 pp -79.08 163.85 24.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.499 ' OD1' ' CZ ' ' A' ' 101' ' ' ARG . 4.7 t0 -125.75 -164.16 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -55.33 -42.74 74.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.527 ' O ' ' C ' ' A' ' 68' ' ' GLY . 42.0 pt -102.21 34.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.527 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 25.06 54.03 0.05 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.426 1.079 . . . . 0.0 111.065 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.52 ' CG2' ' O ' ' A' ' 69' ' ' THR . 1.1 m -84.0 11.49 7.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.434 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.507 ' C ' ' O ' ' A' ' 69' ' ' THR . 0.5 OUTLIER 33.29 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 108.291 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.452 ' O ' ' HA ' ' A' ' 62' ' ' THR . 91.8 m95 -87.85 124.02 67.97 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -74.96 147.83 34.62 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.461 1.769 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 62' ' ' THR . 3.2 mt-30 -37.95 157.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.6 m -157.23 -166.38 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 110.044 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.01 164.53 18.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.419 ' HB3' ' N ' ' A' ' 107' ' ' GLY . 18.3 Cg_endo -75.08 148.63 35.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.91 44.11 98.28 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.03 -170.39 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.611 0.83 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.447 ' CD2' ' OE1' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -145.26 103.45 3.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.404 1.065 . . . . 0.0 109.349 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 101' ' ' ARG . 26.3 t -102.12 52.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.447 ' OE1' ' CD2' ' A' ' 79' ' ' LEU . 8.7 pt-20 -87.84 149.17 24.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -137.25 120.35 11.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.49 38.75 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.543 ' SG ' ' CB ' ' A' ' 88' ' ' PHE . 60.7 m -43.07 153.69 0.33 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.407 1.067 . . . . 0.0 108.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -49.3 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.601 ' HA ' ' CD1' ' A' ' 93' ' ' TYR . 15.8 pt-20 -167.59 136.44 2.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.486 ' O ' ' O ' ' A' ' 86' ' ' GLU . 86.6 t80 37.42 98.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.548 ' CG ' ' N ' ' A' ' 89' ' ' ASN . 22.3 p90 -115.99 -47.81 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.548 ' N ' ' CG ' ' A' ' 88' ' ' PHE . 3.3 p30 160.67 47.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 91' ' ' ILE . . . 172.86 -108.44 0.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.497 ' O ' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -179.84 97.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt 171.34 39.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.601 ' CD1' ' HA ' ' A' ' 86' ' ' GLU . 16.6 p90 -112.02 138.24 48.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.398 1.061 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.545 ' O ' ' CG2' ' A' ' 95' ' ' THR . 27.6 m120 -121.93 -89.3 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.545 ' CG2' ' O ' ' A' ' 94' ' ' ASN . 0.6 OUTLIER -169.41 109.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.085 . . . . 0.0 110.376 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 95' ' ' THR . 0.1 OUTLIER 166.32 -87.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.401 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.461 ' N ' ' OG1' ' A' ' 96' ' ' THR . 0.6 OUTLIER 174.73 139.84 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' A' ' 99' ' ' ALA . 1.0 OUTLIER -69.89 134.43 48.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.367 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.579 ' O ' ' CD1' ' A' ' 100' ' ' TYR . . . 160.15 177.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.35 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 99' ' ' ALA . 47.0 m-85 -157.06 109.32 2.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.499 ' CZ ' ' OD1' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -125.63 125.92 43.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -110.52 164.06 13.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.75 116.54 28.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 108.298 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.8 mt -56.09 169.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.242 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -78.63 1.13 23.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.45 -1.63 40.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.227 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 82.8 24.73 52.26 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.46 1.1 . . . . 0.0 110.956 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.9 p -104.3 175.65 5.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.362 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.444 ' CZ2' ' HB3' ' A' ' 71' ' ' TRP . 13.1 m95 -96.03 -172.22 2.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.7 -144.07 0.09 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.501 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -91.47 -44.65 8.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.969 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 111' ' ' SER . 5.8 mtt180 167.0 48.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.466 ' O ' ' O ' ' A' ' 112' ' ' ARG . 0.5 OUTLIER 47.9 -178.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 113' ' ' VAL . 0.3 OUTLIER 160.77 155.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.398 1.061 . . . . 0.0 109.36 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.62 ' N ' ' CD1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -116.51 88.31 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.86 -29.66 11.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.115 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -95.29 1.67 54.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.608 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -117.41 84.11 2.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 108.361 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 4.4 mt-10 161.25 -49.84 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.4 Cg_endo -74.95 -169.27 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.545 ' CG2' ' O ' ' A' ' 121' ' ' ILE . 0.1 OUTLIER 34.58 89.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.088 . . . . 0.0 109.264 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 2.7 pp -121.68 170.17 9.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.3 t0 178.43 101.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -127.83 49.41 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.58 153.17 7.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.22 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -42.19 135.2 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -103.05 155.34 18.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.182 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.64 103.56 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -97.15 162.86 13.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -76.47 143.86 40.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.49 156.47 23.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -97.33 157.01 16.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.606 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.3 141.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 0.786 . . . . 0.0 110.001 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.69 -130.42 2.7 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.66 172.32 13.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.85 175.06 9.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -143.09 173.23 11.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.366 1.041 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.437 ' O ' ' CG2' ' A' ' 21' ' ' THR . 11.6 t -114.8 110.25 19.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.544 1.152 . . . . 0.0 110.411 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.75 -73.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.238 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 66.73 175.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 70.44 136.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.23 119.45 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -172.29 177.64 3.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 63.56 136.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.98 176.72 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.31 -58.23 1.98 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 t60 59.11 156.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.609 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -175.28 -45.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.413 ' CG ' ' N ' ' A' ' 33' ' ' SER . 9.8 t70 56.7 166.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.367 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' A' ' 32' ' ' ASP . 0.6 OUTLIER -124.86 137.54 29.74 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 110.051 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.654 ' O ' ' HB3' ' A' ' 35' ' ' ASP . 18.3 Cg_endo -74.99 171.02 19.14 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.395 1.734 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.654 ' HB3' ' O ' ' A' ' 34' ' ' PRO . 41.4 p30 141.97 -142.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.43 82.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.51 179.03 39.55 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.6 m -60.25 -121.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 0.819 . . . . 0.0 110.332 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.6 t -162.13 61.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.553 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -58.25 -166.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.3 mt -124.55 1.57 8.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.52 9.63 10.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.516 ' HG3' ' CD2' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -51.76 -51.11 58.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.516 ' CD2' ' HG3' ' A' ' 43' ' ' GLN . 3.6 m-85 -120.73 174.9 6.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 0.0 110.977 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.435 ' CB ' HG21 ' A' ' 62' ' ' THR . 24.4 m 73.94 96.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 108.225 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -172.93 137.7 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.594 1.184 . . . . 0.0 109.621 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 47' ' ' ARG . 5.2 ptp180 -121.44 -52.2 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.339 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.442 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 5.1 t -179.77 161.86 1.02 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' ILE . 47.1 p -137.55 136.32 37.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' THR . 37.0 mt -36.97 108.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.07 149.87 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -85.27 75.85 10.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 0.731 . . . . 0.0 109.351 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.54 ' O ' ' CG ' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -174.55 52.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.88 164.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.995 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.94 113.59 4.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -68.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.458 ' CG ' ' N ' ' A' ' 58' ' ' THR . 41.9 t80 -69.18 168.02 14.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.491 ' O ' ' CG2' ' A' ' 58' ' ' THR . 12.8 t -99.19 87.92 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 6.9 p90 -125.66 155.24 41.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.6 m -47.97 132.53 15.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.228 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -111.96 172.6 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.435 HG21 ' CB ' ' A' ' 45' ' ' CYS . 1.8 m -75.19 106.97 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.474 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -136.6 164.52 28.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.366 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' A' ' 63' ' ' THR . 0.5 OUTLIER -123.1 122.18 37.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.496 ' OD2' ' CZ ' ' A' ' 101' ' ' ARG . 0.2 OUTLIER -90.27 -167.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.345 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' ASP . 3.1 tp60 -38.42 -30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.517 HG21 ' CZ ' ' A' ' 115' ' ' TYR . 25.6 pt -91.09 103.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -32.24 -38.58 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.553 1.158 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' ILE . 1.7 m -44.54 110.59 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 0.742 . . . . 0.0 110.353 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.47 153.42 35.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 108.255 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.545 ' CE3' HG11 ' A' ' 80' ' ' VAL . 96.8 m95 -118.21 135.7 23.62 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.138 . . . . 0.0 107.98 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 138.03 22.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.34 162.72 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.03 -178.94 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.45 157.3 65.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.478 ' HB3' ' HA2' ' A' ' 107' ' ' GLY . 18.5 Cg_endo -75.0 171.26 18.68 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.571 1.827 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 52.0 66.67 2.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -157.42 -147.4 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 0.736 . . . . 0.0 109.245 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 1.2 pt? -169.87 133.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.545 HG11 ' CE3' ' A' ' 71' ' ' TRP . 40.8 t -114.22 63.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -77.12 133.21 39.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.58 157.77 8.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 98' ' ' ASN . 18.3 Cg_endo -74.96 128.24 11.36 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.5 m -47.8 120.23 7.51 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 108.308 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.528 ' O ' ' CE1' ' A' ' 88' ' ' PHE . 18.3 Cg_endo -74.99 115.91 4.43 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 110.977 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 85' ' ' PRO . 4.4 pt-20 -34.09 97.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER 175.92 36.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.528 ' CE1' ' O ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -123.54 -56.39 1.7 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.077 . . . . 0.0 110.944 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.629 ' N ' HD21 ' A' ' 89' ' ' ASN . 0.1 OUTLIER 179.45 37.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 159.55 103.09 0.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.562 ' O ' ' CB ' ' A' ' 92' ' ' LYS . 3.9 pt -76.35 136.27 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.766 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 91' ' ' ILE . 0.4 OUTLIER 159.37 41.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.602 ' O ' ' CG ' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -77.7 52.59 1.02 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.513 ' N ' HD21 ' A' ' 94' ' ' ASN . 1.8 m-80 -118.94 -70.58 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.7 p -129.42 62.98 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.386 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 p -125.65 -79.05 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.17 . . . . 0.0 110.418 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -163.45 174.03 12.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.594 ' O ' ' CE1' ' A' ' 100' ' ' TYR . 7.1 p-10 -147.02 156.63 43.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.441 ' C ' ' CD1' ' A' ' 100' ' ' TYR . . . -102.09 165.82 10.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.659 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -146.0 127.8 15.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.579 ' HD3' ' CE3' ' A' ' 109' ' ' TRP . 13.2 ttt180 -128.39 131.27 48.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -100.52 149.57 23.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.32 135.67 45.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 76' ' ' PRO . 1.2 tp -86.97 151.77 22.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.55 -0.17 16.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.55 -9.23 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.478 ' HA2' ' HB3' ' A' ' 76' ' ' PRO . . . 101.34 8.93 45.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.61 1.194 . . . . 0.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 109' ' ' TRP . 0.6 OUTLIER -135.52 174.09 10.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 110.415 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.579 ' CE3' ' HD3' ' A' ' 101' ' ' ARG . 63.6 m95 -77.2 -163.4 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 107.986 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.12 -107.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.35 -38.46 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.07 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -178.96 155.59 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.593 ' HB ' ' CE1' ' A' ' 115' ' ' TYR . 5.9 t -64.56 147.93 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.84 130.58 34.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.593 ' CE1' ' HB ' ' A' ' 113' ' ' VAL . 9.7 m-85 -125.49 66.64 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.568 ' C ' ' CG ' ' A' ' 117' ' ' HIS . 17.7 m -37.72 -52.36 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.568 ' CG ' ' C ' ' A' ' 116' ' ' SER . 1.6 m-70 -161.98 39.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.596 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.1 t -94.23 -49.54 5.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.258 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.492 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER -58.12 -51.92 78.31 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.3 Cg_endo -75.05 61.59 5.74 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.799 . . . . 0.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.3 tt -80.51 160.89 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.84 138.97 49.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -177.24 92.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.232 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -169.58 92.41 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -145.21 60.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -109.75 178.28 4.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 63.02 138.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.433 1.083 . . . . 0.0 110.349 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -167.11 70.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 129' ' ' TYR . 16.6 p90 -86.97 143.86 27.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 171.89 139.97 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 68.76 177.32 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.477 ' O ' ' C ' ' A' ' 133' ' ' TYR . 0.5 OUTLIER -138.27 108.09 6.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.477 ' C ' ' O ' ' A' ' 132' ' ' HIS . 5.4 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.4 p 179.59 157.78 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 0.788 . . . . 0.0 110.008 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.79 -139.96 5.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.25 131.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.45 0.735 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.39 166.5 3.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.62 1.2 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -177.95 -174.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -160.05 -51.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.447 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 69.39 -169.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.83 -54.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 59.01 -110.88 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -58.43 143.72 44.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.598 1.186 . . . . 0.0 109.355 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -85.81 -173.23 4.5 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.59 167.19 22.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -138.63 170.44 16.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.579 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -71.41 -78.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 0.0 110.318 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.59 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER 78.51 171.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.646 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.436 ' HG3' ' CE1' ' A' ' 30' ' ' HIS . 36.1 mtt 55.59 73.1 0.44 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.56 121.84 38.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.595 1.184 . . . . 0.0 109.243 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -127.48 154.17 77.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -162.17 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.049 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -109.58 146.57 34.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.96 -76.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.23 90.79 2.14 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.8 p -64.22 -10.73 25.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 0.809 . . . . 0.0 110.331 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 53.9 m -158.05 134.14 9.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.393 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.45 -40.46 97.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 72.21 5.67 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.241 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 44' ' ' TYR . 1.7 mt-10 -110.13 9.26 24.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' GLU . 1.1 mp0 37.85 -97.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.3 m-85 -85.94 -56.73 3.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.411 ' HB3' ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -179.53 113.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 108.267 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' THR . 1.7 t-160 -162.05 147.71 13.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.582 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -78.12 -68.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 166.45 -39.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.413 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p 41.27 63.82 1.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.388 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.51 140.76 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.22 -101.97 0.55 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.58 1.175 . . . . 0.0 111.067 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -157.43 30.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -176.17 -177.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 p -39.28 117.89 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -64.18 -141.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 57' ' ' TYR . 18.6 Cg_endo -74.88 -67.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.491 1.785 . . . . 0.0 111.026 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.498 ' OH ' ' CG2' ' A' ' 48' ' ' THR . 5.1 p90 -53.46 -169.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.435 ' O ' ' CG2' ' A' ' 58' ' ' THR . 10.9 m -152.62 34.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.373 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.431 ' CE2' ' CB ' ' A' ' 57' ' ' TYR . 3.5 p90 -126.33 -178.53 4.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.414 ' O ' ' O ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -92.01 138.52 31.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.297 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -120.63 -167.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 1.2 m -73.2 127.97 34.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.418 HG23 ' N ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -166.81 174.83 8.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 110.446 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.418 ' N ' HG23 ' A' ' 63' ' ' THR . 3.0 pp -119.38 128.16 53.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -78.97 179.36 7.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -57.26 -21.81 36.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.244 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.499 ' O ' ' C ' ' A' ' 68' ' ' GLY . 2.1 pt -93.12 37.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.499 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 29.68 42.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.592 ' O ' ' CD1' ' A' ' 71' ' ' TRP . 39.1 m -107.4 107.57 18.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.783 . . . . 0.0 110.434 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.45 110.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 108.222 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 69' ' ' THR . 96.7 m95 -101.84 127.63 30.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 156.59 43.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.5 154.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -159.99 171.81 18.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.991 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.94 163.98 18.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 146.57 33.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.538 1.809 . . . . 0.0 111.064 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.53 26.57 68.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.26 -150.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.74 111.68 2.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.237 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.578 HG11 ' CZ3' ' A' ' 71' ' ' TRP . 70.7 t -102.58 50.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.489 ' CB ' ' HA ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -83.84 140.13 32.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 99' ' ' ALA . 11.4 ptp180 -171.44 88.84 0.46 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 84' ' ' CYS . 18.2 Cg_endo -74.98 -165.93 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.539 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -37.73 -59.52 1.1 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.306 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.539 ' HD3' ' CB ' ' A' ' 84' ' ' CYS . 18.2 Cg_endo -75.03 165.17 31.82 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.449 1.763 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -164.69 62.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 70.2 t80 178.53 -47.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.559 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 2.7 p90 -126.95 -47.4 1.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 88' ' ' PHE . 0.2 OUTLIER 87.38 -25.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.36 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.508 ' O ' ' CD1' ' A' ' 91' ' ' ILE . . . -38.37 -26.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.142 . . . . 0.0 111.027 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.508 ' CD1' ' O ' ' A' ' 90' ' ' GLY . 3.8 mm -145.5 -132.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 0.799 . . . . 0.0 109.324 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.417 ' HG3' ' CD1' ' A' ' 121' ' ' ILE . 0.7 OUTLIER -126.24 176.05 7.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.52 -172.67 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.654 ' N ' HD21 ' A' ' 94' ' ' ASN . 1.1 m-80 -100.12 -15.91 18.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.5 m -89.89 162.76 15.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.9 m -125.57 70.52 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -135.92 54.83 1.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.539 ' OD1' ' CG ' ' A' ' 115' ' ' TYR . 3.1 p30 -61.83 156.08 21.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 82' ' ' ARG . . . -171.34 169.73 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.489 ' HA ' ' CB ' ' A' ' 81' ' ' GLU . 0.2 OUTLIER 171.97 52.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.631 ' NH1' ' CZ3' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -101.78 -164.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -151.91 140.07 20.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.02 138.47 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 108.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.21 156.89 36.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.24 1.71 17.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.41 1.26 41.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.78 36.66 18.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.138 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.413 ' HA ' ' NH2' ' A' ' 47' ' ' ARG . 70.0 p -128.69 139.94 51.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.631 ' CZ3' ' NH1' ' A' ' 101' ' ' ARG . 48.1 m95 -56.9 -171.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.034 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.74 -175.19 2.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.38 -55.74 3.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.023 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -147.81 122.41 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.252 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.538 ' CG1' ' HB3' ' A' ' 101' ' ' ARG . 22.1 t -74.93 160.22 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.531 ' C ' ' CD2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -123.2 156.03 35.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.539 ' CG ' ' OD1' ' A' ' 98' ' ' ASN . 0.3 OUTLIER -173.1 89.15 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.432 ' O ' ' CG ' ' A' ' 120' ' ' PRO . 0.6 OUTLIER -121.85 1.8 9.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.419 1.075 . . . . 0.0 110.008 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.52 14.92 8.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.566 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.54 -74.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 108.25 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.474 ' CB ' ' HD3' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -46.45 -56.01 12.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.474 ' HD3' ' CB ' ' A' ' 119' ' ' GLU . 18.1 Cg_endo -75.02 129.19 12.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.403 1.738 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.482 ' CD1' HG21 ' A' ' 91' ' ' ILE . 1.4 tt -108.0 146.35 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.46 -172.28 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.25 137.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.75 127.61 21.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -179.76 57.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -84.1 123.9 30.55 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.436 1.085 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.91 129.11 11.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.189 . . . . 0.0 110.305 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -159.41 -60.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.454 ' CG ' ' N ' ' A' ' 130' ' ' ASP . 44.1 t80 53.99 168.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 129' ' ' TYR . 1.5 p-10 178.73 142.33 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.1 tp -124.59 -114.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 69.33 141.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.547 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 7.5 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.2 m -99.86 75.9 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 110.062 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 18' ' ' MET . . . -166.14 -105.49 0.19 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.561 1.163 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.486 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 10.6 ttt 80.85 -59.41 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 0.752 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.02 -77.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 18' ' ' MET . 0.0 OUTLIER 48.18 84.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.6 m -135.08 128.21 31.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -172.98 168.06 4.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.57 -59.82 0.41 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 109.181 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 53.69 177.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.603 1.189 . . . . 0.0 109.321 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -144.38 134.2 23.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -159.1 172.16 18.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.981 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -144.06 143.86 31.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 1.179 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -142.83 106.09 4.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.08 -43.54 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.02 174.79 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.575 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 60.11 120.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.94 167.39 19.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.7 m -83.39 158.4 63.56 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -162.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.46 1.768 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.22 124.23 44.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.366 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -178.65 70.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 38' ' ' THR . . . -41.82 -72.87 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 110.94 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.594 ' O ' ' CB ' ' A' ' 39' ' ' THR . 13.5 m 34.3 90.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 110.365 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.594 ' CB ' ' O ' ' A' ' 38' ' ' THR . 3.1 m 90.09 -132.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.459 ' CB ' ' NE2' ' A' ' 43' ' ' GLN . 0.7 OUTLIER 44.81 -163.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.86 22.81 3.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 44' ' ' TYR . 11.1 mp0 54.31 59.22 4.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.541 ' O ' ' CG ' ' A' ' 44' ' ' TYR . 2.4 mt-30 -63.6 76.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.541 ' CG ' ' O ' ' A' ' 43' ' ' GLN . 65.2 m-85 -165.36 154.14 11.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.4 m 77.62 98.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 108.271 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' A' ' 53' ' ' PHE . 7.3 t60 -136.49 160.53 38.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.663 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.532 ' N ' ' CD2' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -83.11 -93.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.529 ' O ' ' C ' ' A' ' 49' ' ' THR . 14.3 t -176.28 -35.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.529 ' C ' ' O ' ' A' ' 48' ' ' THR . 9.5 t -27.7 125.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.397 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.49 ' CG2' ' O ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER 58.16 114.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.79 -120.35 1.03 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -112.86 -29.76 7.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.577 ' HA ' ' CE1' ' A' ' 46' ' ' HIS . 1.3 m-85 -134.08 170.4 15.71 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.25 -175.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.08 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.7 167.38 33.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -74.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 110.94 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.459 ' CE1' ' CD1' ' A' ' 59' ' ' TYR . 23.2 p90 -72.78 162.6 29.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.473 ' O ' ' CG2' ' A' ' 58' ' ' THR . 12.0 t -93.07 92.28 7.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.5 ' CZ ' HG23 ' A' ' 49' ' ' THR . 40.7 p90 -102.81 166.84 10.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' TYR . 10.9 m -41.17 134.09 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.443 ' HA ' ' CG ' ' A' ' 73' ' ' GLN . 24.7 t30 -96.64 172.78 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.172 . . . . 0.0 109.301 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 t -87.25 130.73 34.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.462 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -166.66 176.21 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.64 ' CD2' ' O ' ' A' ' 68' ' ' GLY . 14.3 mt -117.48 152.51 34.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.23 -153.19 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.354 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -47.55 -28.55 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.54 ' C ' ' H ' ' A' ' 69' ' ' THR . 0.5 OUTLIER -110.49 110.08 30.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.08 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.64 ' O ' ' CD2' ' A' ' 64' ' ' LEU . . . -50.92 -7.21 0.16 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.17 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.54 ' H ' ' C ' ' A' ' 67' ' ' ILE . 14.7 m -62.25 72.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 110.444 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' A' ' 68' ' ' GLY . 0.6 OUTLIER -38.73 127.98 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -101.61 115.88 64.31 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 75.14 3.78 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.443 ' CG ' ' HA ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER 52.61 172.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.608 ' OG ' ' CZ2' ' A' ' 109' ' ' TRP . 3.6 m -159.37 -157.82 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.7 152.88 80.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.36 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.428 ' HB3' ' N ' ' A' ' 107' ' ' GLY . 18.4 Cg_endo -74.94 139.82 24.91 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.538 1.81 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.47 20.54 77.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.557 1.161 . . . . 0.0 111.059 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -126.08 157.89 36.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.56 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -123.71 110.8 15.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.6 t -68.59 63.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 109.222 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 79' ' ' LEU . 4.6 pt-20 -76.4 130.31 37.85 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.398 1.061 . . . . 0.0 110.32 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 98' ' ' ASN . 0.0 OUTLIER -132.24 82.04 59.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 85' ' ' PRO . 18.5 Cg_endo -75.01 109.6 2.96 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.47 1.773 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.616 ' O ' ' CZ ' ' A' ' 88' ' ' PHE . 1.7 p -37.31 98.62 0.16 Allowed Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.452 1.095 . . . . 0.0 108.35 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.469 ' N ' ' O ' ' A' ' 83' ' ' PRO . 18.4 Cg_endo -75.0 7.95 2.64 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.388 1.73 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 85' ' ' PRO . 3.0 mt-10 -34.84 153.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.428 ' O ' ' O ' ' A' ' 89' ' ' ASN . 27.8 t80 -36.52 -47.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.641 ' CD1' ' N ' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -41.45 -38.04 1.19 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.641 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 1.7 t-20 -82.23 162.56 22.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.1 48.67 3.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -162.22 151.72 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -82.25 118.62 23.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.464 ' HB3' ' C ' ' A' ' 85' ' ' PRO . 47.6 p90 -81.33 150.94 28.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.47 ' ND2' ' N ' ' A' ' 94' ' ' ASN . 0.0 OUTLIER -119.33 -54.27 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.339 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.4 t -91.32 -174.71 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.6 t -133.47 48.1 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.401 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 53.5 mtt85 -149.75 109.53 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.252 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' A' ' 99' ' ' ALA . 1.8 p-10 -111.88 166.69 10.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.397 1.061 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 98' ' ' ASN . . . 162.46 -174.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.496 ' CD1' ' C ' ' A' ' 99' ' ' ALA . 22.5 m-85 -154.42 106.44 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -124.73 143.21 50.89 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -110.22 152.97 25.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 110.222 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.31 132.64 48.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 108.3 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 47.8 mt -66.06 168.69 7.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -79.52 1.24 26.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.357 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.9 -2.77 49.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.428 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 82.45 33.06 26.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 67.4 p -123.11 162.91 21.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 0.73 . . . . 0.0 110.363 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.608 ' CZ2' ' OG ' ' A' ' 74' ' ' SER . 23.5 m95 -80.83 -171.71 3.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 107.975 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.0 -156.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.36 -66.4 0.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -177.78 163.61 1.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.634 1.209 . . . . 0.0 110.278 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 99' ' ' ALA . 1.4 p -39.34 145.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.508 ' ND2' ' N ' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -84.06 -56.93 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.316 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.508 ' N ' ' ND2' ' A' ' 114' ' ' ASN . 0.2 OUTLIER 53.02 93.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.423 1.077 . . . . 0.0 111.012 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.1 -82.52 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.977 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.31 62.1 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.529 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.457 ' SG ' ' ND2' ' A' ' 98' ' ' ASN . 0.1 OUTLIER -52.39 -64.39 0.83 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 108.335 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.519 ' CB ' ' HD3' ' A' ' 120' ' ' PRO . 0.5 OUTLIER -57.61 -58.1 20.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.519 ' HD3' ' CB ' ' A' ' 119' ' ' GLU . 18.3 Cg_endo -75.07 58.51 4.96 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.28 146.68 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.85 119.68 39.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 124' ' ' ASP . 3.8 p30 -127.93 152.9 47.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 123' ' ' ASP . 0.3 OUTLIER 78.04 100.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -68.64 166.76 16.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -104.72 162.02 13.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.127 . . . . 0.0 110.296 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.92 138.91 42.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.61 177.14 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -90.95 170.36 10.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.945 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.52 155.4 39.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.8 pp -155.78 169.0 25.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.09 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 76.25 151.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.628 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 4.3 t80 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.17 . . . . 0.0 110.975 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.6 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.488 ' C ' ' CD1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -79.12 167.74 20.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.2 m -66.01 148.72 51.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 108.28 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -114.71 163.3 15.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.369 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.42 ' N ' ' HG3' ' A' ' 73' ' ' GLN . 2.5 m -62.68 126.18 26.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -158.42 159.4 35.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 0.0 110.449 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.69 ' O ' HD12 ' A' ' 64' ' ' LEU . 4.0 pp -132.52 126.36 32.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.364 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.441 ' C ' ' N ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -95.48 -160.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' ASP . 17.0 mp0 -38.83 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.39 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.967 HD13 HG12 ' A' ' 113' ' ' VAL . 5.2 mp -89.46 102.7 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -35.53 -42.52 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.687 ' HB ' HG22 ' A' ' 67' ' ' ILE . 1.8 m -46.29 109.79 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.754 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.2 p -82.61 143.22 31.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 108.344 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.511 ' HH2' ' HB3' ' A' ' 99' ' ' ALA . 21.2 m95 -110.67 141.78 24.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.036 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.98 143.36 29.04 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.545 1.813 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' PRO . 6.0 mp0 -36.17 150.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.395 1.059 . . . . 0.0 110.279 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -143.0 -171.52 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.31 153.52 37.7 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 147.35 33.63 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.76 5.78 70.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.79 -157.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.9 132.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.739 ' O ' HG12 ' A' ' 80' ' ' VAL . 40.2 t -103.52 59.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.62 143.32 26.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.343 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 1.046 ' HB1' ' CG2' ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -148.61 102.39 3.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.4 125.62 31.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.534 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 1.2 pt-20 -100.88 154.13 18.92 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 108' ' ' THR . 0.1 OUTLIER -117.52 117.08 28.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 108.256 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.1 mt -59.06 165.16 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.237 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -77.8 1.4 20.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.66 -2.73 40.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.14 49.93 4.78 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 103' ' ' CYS . 66.2 p -140.44 156.2 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 0.81 . . . . 0.0 110.36 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -82.84 -171.46 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.604 1.19 . . . . 0.0 107.977 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.534 ' HB2' ' HG3' ' A' ' 102' ' ' GLU . . . -99.35 -168.23 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -58.64 7.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -174.01 137.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 1.046 ' CG2' ' HB1' ' A' ' 99' ' ' ALA . 2.3 p . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 58' ' ' THR . 3.3 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.485 ' CD2' ' O ' ' A' ' 74' ' ' SER . 0.2 OUTLIER -119.0 174.08 6.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 96.8 m -88.5 150.16 23.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.308 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -106.47 160.65 15.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 1.8 m -71.51 122.11 19.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.399 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 m -143.39 152.93 42.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.427 1.08 . . . . 0.0 110.36 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.641 ' O ' HD12 ' A' ' 64' ' ' LEU . 4.2 pp -116.54 134.69 54.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.491 ' OD2' HG23 ' A' ' 113' ' ' VAL . 22.0 t0 -96.86 -178.01 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -64.83 -11.4 36.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.274 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 69' ' ' THR . 4.8 mt -102.49 38.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 34.79 37.9 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 67' ' ' ILE . 1.1 p -88.33 92.89 9.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 110.394 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.12 93.51 8.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.072 . . . . 0.0 108.254 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.408 ' O ' ' HA ' ' A' ' 62' ' ' THR . 68.7 m95 -88.67 113.41 55.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.008 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.471 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.03 81.5 2.21 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.812 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER 53.33 169.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.485 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 64.7 m -169.96 -173.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.929 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.03 157.42 52.96 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.49 31.51 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.584 1.834 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 57.91 49.36 75.41 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.578 1.174 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.835 ' O ' HD22 ' A' ' 79' ' ' LEU . . . -125.72 -161.39 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 0.796 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.835 HD22 ' O ' ' A' ' 78' ' ' ALA . 1.1 mm? -142.71 110.44 5.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.762 ' O ' HG12 ' A' ' 80' ' ' VAL . 54.0 t -110.16 49.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -102.84 161.97 13.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 82' ' ' ARG . 3.7 ptp180 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.57 ' CD2' ' HB2' ' A' ' 81' ' ' GLU . 1.2 t80 -134.34 109.09 8.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.665 ' CG ' HG13 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -128.89 134.6 48.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -120.09 153.02 36.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 108' ' ' THR . 0.1 OUTLIER -112.92 113.5 25.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 108.282 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.04 171.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -78.23 1.29 22.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -98.15 -2.66 39.41 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.48 31.83 32.54 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 103' ' ' CYS . 64.6 p -113.35 174.1 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 0.798 . . . . 0.0 110.371 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.681 ' HH2' HG21 ' A' ' 80' ' ' VAL . 6.9 m95 -100.98 -175.63 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.519 ' HB3' HH11 ' A' ' 101' ' ' ARG . . . -93.85 -156.44 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.6 p -111.35 -45.35 3.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 0.0 110.024 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.74 132.76 33.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.665 HG13 ' CG ' ' A' ' 101' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.5 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.53 164.21 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' SER . 6.5 m -53.08 161.6 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -108.03 170.81 7.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.479 ' O ' ' CB ' ' A' ' 63' ' ' THR . 6.4 t -102.23 136.22 42.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.376 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.479 ' CB ' ' O ' ' A' ' 62' ' ' THR . 0.6 OUTLIER 168.18 160.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.765 ' C ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -120.09 141.4 49.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.85 35.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.358 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.473 ' NE2' ' CZ ' ' A' ' 101' ' ' ARG . 2.9 mp0 -123.9 -77.25 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -140.14 37.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.86 -36.83 3.31 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.457 1.098 . . . . 0.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.3 m -55.65 112.94 1.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.747 . . . . 0.0 110.437 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.56 139.72 37.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 108.321 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.412 ' CD2' ' HD3' ' A' ' 101' ' ' ARG . 1.0 OUTLIER -117.53 115.6 37.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 108.024 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.45 ' HA ' ' OG1' ' A' ' 62' ' ' THR . 18.0 Cg_endo -74.96 151.27 39.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.773 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 72' ' ' PRO . 7.2 mt-30 -36.82 152.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.262 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' CYS . 0.7 OUTLIER -156.4 168.3 27.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.31 154.45 90.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.12 37.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.568 1.825 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.89 59.59 9.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.413 1.071 . . . . 0.0 110.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.34 -165.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 0.721 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.79 104.23 5.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.391 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.769 ' O ' HG12 ' A' ' 80' ' ' VAL . 22.9 t -96.0 61.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.479 ' CB ' ' HA ' ' A' ' 100' ' ' TYR . 14.6 pt-20 -98.49 156.59 16.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 82' ' ' ARG . 3.9 ptp180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.764 ' HB1' ' CG2' ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -139.98 145.21 37.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.473 ' CZ ' ' NE2' ' A' ' 66' ' ' GLN . 1.9 mtp85 -136.24 80.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.355 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.29 146.98 53.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.31 136.1 50.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.424 1.077 . . . . 0.0 108.265 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.5 mt -74.09 157.81 35.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -76.92 1.13 18.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.07 -1.61 54.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.07 43.69 8.02 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.0 p -129.99 170.38 14.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 0.772 . . . . 0.0 110.469 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.734 ' HH2' HG21 ' A' ' 80' ' ' VAL . 6.9 m95 -90.07 -171.35 3.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 107.974 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.36 -142.21 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.08 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 m -94.07 -80.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.938 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.717 ' O ' HG12 ' A' ' 113' ' ' VAL . 9.2 ptt180 -158.11 47.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.764 ' CG2' ' HB1' ' A' ' 99' ' ' ALA . 7.4 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 58' ' ' THR . 43.2 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -117.53 169.52 9.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.074 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.7 m -58.61 133.75 56.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 108.284 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -85.99 -172.06 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 13.9 t -100.77 134.85 43.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.46 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 t -174.69 151.59 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.362 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.811 ' O ' HD12 ' A' ' 64' ' ' LEU . 1.6 pp -120.45 117.33 27.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -84.34 -151.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -56.87 -16.66 7.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.503 ' CG2' ' HB ' ' A' ' 69' ' ' THR . 1.9 mm -99.05 105.37 17.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -33.26 -49.87 0.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.566 1.166 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.645 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -35.98 98.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 110.404 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.665 ' HB2' HD23 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -82.53 143.76 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.367 1.042 . . . . 0.0 108.332 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.69 ' CZ2' HG21 ' A' ' 113' ' ' VAL . 1.0 OUTLIER -115.85 109.94 44.68 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 108.004 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 82.31 2.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.474 1.776 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 72' ' ' PRO . 1.0 OUTLIER 59.2 148.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 73' ' ' GLN . 0.9 OUTLIER -154.54 168.37 26.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.026 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.58 151.06 55.2 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 77' ' ' GLY . 18.3 Cg_endo -74.95 158.0 42.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.444 1.76 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 76' ' ' PRO . . . 35.61 45.45 0.74 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.35 2.89 14.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 109.251 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.414 ' CD2' ' HG3' ' A' ' 102' ' ' GLU . 3.0 mm? 39.96 89.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.587 ' O ' HG12 ' A' ' 80' ' ' VAL . 76.7 t -84.9 61.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.367 1.042 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -78.05 167.52 21.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.895 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.792 ' C ' HG23 ' A' ' 113' ' ' VAL . 8.9 m-85 -127.67 129.33 46.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.57 ' HD3' ' CH2' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -126.77 82.87 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.351 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.414 ' HG3' ' CD2' ' A' ' 79' ' ' LEU . 32.8 tt0 -72.26 146.36 47.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.362 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.598 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -127.18 144.06 51.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.285 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 mt -89.92 156.47 18.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -76.39 0.6 19.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.67 -0.99 53.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.11 56.97 2.91 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.459 1.1 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 76.7 p -147.83 164.15 34.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 0.762 . . . . 0.0 110.444 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.598 ' CZ3' ' SG ' ' A' ' 103' ' ' CYS . 4.9 m95 -92.74 -179.78 5.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 108.018 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.04 -154.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -76.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.25 143.89 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.895 HG22 ' HB1' ' A' ' 99' ' ' ALA . 7.3 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -105.55 152.95 22.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 86.0 m -42.47 148.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.29 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -104.12 172.6 6.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 4.5 t -88.61 130.56 35.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.42 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 t -174.73 164.64 3.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.522 ' O ' HD12 ' A' ' 64' ' ' LEU . 2.0 pp -126.33 119.56 27.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.462 ' OD2' HD12 ' A' ' 67' ' ' ILE . 4.3 p-10 -90.37 -169.36 2.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.232 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' ASP . 49.0 tt0 -37.39 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.881 HD13 HG12 ' A' ' 113' ' ' VAL . 4.2 mp -91.05 103.61 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -31.75 -39.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.654 ' HB ' HG22 ' A' ' 67' ' ' ILE . 1.4 m -43.04 94.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' GLY . 8.0 t -82.93 154.73 24.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 108.259 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.593 ' CZ3' HG12 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -126.25 118.38 23.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 108.005 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.97 72.58 4.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.962 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.407 ' HG2' ' N ' ' A' ' 74' ' ' SER . 5.7 tm0? 59.86 146.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.326 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.455 ' OG ' ' CZ2' ' A' ' 109' ' ' TRP . 1.2 m -144.47 172.34 13.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.66 150.89 41.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 147.48 34.22 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.577 1.83 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 38.64 39.04 0.76 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.88 2.08 23.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.408 HD13 ' HB3' ' A' ' 102' ' ' GLU . 0.7 OUTLIER 54.71 98.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.669 ' O ' HG12 ' A' ' 80' ' ' VAL . 53.4 t -95.09 60.72 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.588 ' CG ' ' CD2' ' A' ' 100' ' ' TYR . 0.8 OUTLIER -79.47 144.36 34.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.173 . . . . 0.0 110.245 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.882 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 5.1 ptp180 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 82' ' ' ARG . . . . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.588 ' CD2' ' CG ' ' A' ' 81' ' ' GLU . 53.8 m-85 -153.34 136.36 15.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.994 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.583 ' HG3' ' CZ2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -140.51 38.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -35.31 126.29 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.605 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 1.0 OUTLIER -90.29 148.9 22.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 108.276 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.4 mp -86.43 150.35 24.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.081 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -77.46 1.65 18.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -96.82 2.69 52.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 79.19 45.2 9.05 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.5 p -134.81 157.13 47.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.741 . . . . 0.0 110.384 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.625 ' HH2' HG11 ' A' ' 80' ' ' VAL . 0.4 OUTLIER -77.82 -169.39 1.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 107.975 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.57 -167.38 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.227 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 p -87.21 -43.02 12.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.986 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -168.59 158.34 9.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.881 HG12 HD13 ' A' ' 67' ' ' ILE . 9.9 p . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.2 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.473 ' CB ' ' HD3' ' A' ' 76' ' ' PRO . 10.3 p90 -121.94 170.95 9.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HB2' ' CA ' ' A' ' 74' ' ' SER . 8.6 m -40.39 146.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 108.296 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -112.28 171.04 7.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 8.8 t -88.2 129.72 35.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 110.38 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -171.5 158.9 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.364 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 pp -100.58 147.14 26.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.43 ' OD2' ' NH1' ' A' ' 101' ' ' ARG . 1.5 t70 -105.52 -152.85 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.397 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.47 -7.18 59.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.766 HD12 ' CG1' ' A' ' 113' ' ' VAL . 3.6 mt -104.13 37.6 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.347 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 31.9 45.87 0.19 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.432 ' O ' ' CG2' ' A' ' 69' ' ' THR . 5.2 t -124.68 114.92 19.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.28 104.25 14.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.556 1.16 . . . . 0.0 108.303 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.55 ' CZ3' HG12 ' A' ' 80' ' ' VAL . 67.6 m95 -79.23 128.63 75.13 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 107.992 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.01 74.9 3.86 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 62' ' ' THR . 4.7 mt-30 54.2 167.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.49 ' OG ' ' CZ2' ' A' ' 109' ' ' TRP . 1.7 m -169.2 174.65 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.28 147.49 33.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 59' ' ' TYR . 18.4 Cg_endo -75.01 154.16 42.24 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.431 1.753 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 52.77 19.47 6.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.155 . . . . 0.0 111.059 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.04 -154.62 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 0.782 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.02 96.53 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.612 HG21 ' CH2' ' A' ' 109' ' ' TRP . 2.3 t -90.35 62.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 99' ' ' ALA . 0.4 OUTLIER -95.16 140.79 29.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.449 ' H ' ' HB3' ' A' ' 99' ' ' ALA . 69.4 mtt-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.449 ' HB3' ' H ' ' A' ' 82' ' ' ARG . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 35.3 p90 177.03 130.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.613 ' HG2' ' HB3' ' A' ' 110' ' ' ALA . 0.0 OUTLIER -140.26 66.59 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.248 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' ARG . 1.1 pm0 -37.25 122.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -86.27 121.77 29.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 108.298 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.3 mt -56.89 163.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.86 0.7 17.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.08 -2.68 42.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.94 36.86 17.45 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.403 ' O ' ' SG ' ' A' ' 103' ' ' CYS . 26.0 p -120.72 168.0 11.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 110.417 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.612 ' CH2' HG21 ' A' ' 80' ' ' VAL . 76.0 m95 -89.19 -172.03 3.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 108.049 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.613 ' HB3' ' HG2' ' A' ' 101' ' ' ARG . . . -99.39 -141.95 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.0 -46.19 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 110.001 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.48 117.05 32.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.766 ' CG1' HD12 ' A' ' 67' ' ' ILE . 10.9 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 58' ' ' THR . 54.1 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.554 ' CD1' ' HA ' ' A' ' 75' ' ' ALA . 87.5 t80 -172.65 143.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' SER . 4.5 m -74.85 131.23 40.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 108.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -113.9 164.25 14.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.465 ' CG2' ' SG ' ' A' ' 70' ' ' CYS . 71.8 m -69.62 118.26 12.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 110.372 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.67 158.46 44.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.178 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 pp -129.83 118.52 21.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.442 1.088 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -93.01 -152.94 0.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.605 1.191 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -47.64 -23.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.536 ' CG2' ' HB ' ' A' ' 69' ' ' THR . 3.2 mm -96.08 104.06 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -34.13 -49.21 0.62 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.536 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -38.77 112.0 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 0.738 . . . . 0.0 110.394 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.465 ' SG ' ' CG2' ' A' ' 62' ' ' THR . 0.1 OUTLIER -89.38 122.96 33.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.83 ' CZ2' HG21 ' A' ' 113' ' ' VAL . 58.0 m95 -92.46 141.9 25.3 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 108.017 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 71' ' ' TRP . 18.3 Cg_endo -75.05 149.94 37.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.57 1.826 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.453 ' N ' ' OG1' ' A' ' 62' ' ' THR . 0.0 OUTLIER -49.87 163.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.322 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.53 ' O ' ' CE1' ' A' ' 59' ' ' TYR . 16.6 m -165.92 -174.49 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -101.41 168.72 8.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.597 1.186 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.604 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.1 Cg_endo -75.06 147.27 33.48 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.0 29.82 76.39 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.444 1.09 . . . . 0.0 111.09 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.75 -148.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 0.727 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.734 HD12 ' HG2' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -171.76 83.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.613 1.196 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.72 ' O ' HG12 ' A' ' 80' ' ' VAL . 43.9 t -100.3 60.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.734 ' HG2' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -95.61 134.42 38.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 13.9 ptp180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.34 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.705 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.512 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -101.46 140.55 35.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 111.095 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.68 ' HG3' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -148.67 123.04 9.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -95.93 153.67 17.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 108' ' ' THR . 0.1 OUTLIER -111.83 122.08 46.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 108.302 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 mt -62.96 177.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.355 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.88 1.5 46.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.634 1.209 . . . . 0.0 110.231 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.52 -0.12 43.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.421 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 80.79 35.79 24.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 103' ' ' CYS . 66.2 p -118.5 168.29 10.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 0.781 . . . . 0.0 110.452 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.605 ' HH2' HG21 ' A' ' 80' ' ' VAL . 21.2 m95 -91.36 -173.54 3.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 108.011 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.55 -168.5 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 m -84.12 -59.98 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.981 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.89 131.33 32.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.83 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 3.0 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.546 0.212 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.468 ' O ' ' C ' ' A' ' 60' ' ' CYS . 18.1 p90 -76.73 171.2 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 59' ' ' TYR . 15.1 m -36.74 133.89 0.53 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 108.264 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.508 ' ND2' ' H ' ' A' ' 62' ' ' THR . 3.9 t30 -101.03 -173.25 2.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.071 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.508 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 10.9 t -97.94 136.0 38.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 t -176.38 158.92 1.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.182 . . . . 0.0 110.444 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 pp -110.25 175.51 5.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD2' ' NH2' ' A' ' 101' ' ' ARG . 2.2 t0 -121.57 -160.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -84.95 1.02 49.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 69' ' ' THR . 0.8 OUTLIER -115.55 38.34 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 35.47 49.35 0.94 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -114.25 85.55 2.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 110.413 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.0 t -72.19 118.46 15.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.278 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.765 ' CE3' HG11 ' A' ' 80' ' ' VAL . 54.0 m95 -111.43 121.18 40.91 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 108.042 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.1 Cg_endo -75.02 154.02 42.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.45 ' NE2' ' OD1' ' A' ' 61' ' ' ASN . 4.1 mt-30 -37.62 150.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.392 1.058 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -158.07 170.42 22.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.021 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.405 ' O ' ' SG ' ' A' ' 60' ' ' CYS . . . -78.2 154.56 79.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' A' ' 59' ' ' TYR . 18.2 Cg_endo -75.0 149.43 36.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.64 21.06 78.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.146 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.55 -161.62 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.66 107.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.377 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.765 HG11 ' CE3' ' A' ' 71' ' ' TRP . 49.0 t -86.15 53.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.506 ' O ' ' CG ' ' A' ' 82' ' ' ARG . 6.2 mt-10 -78.73 146.37 33.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.59 ' NH2' HG13 ' A' ' 80' ' ' VAL . 24.5 mtt-85 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.399 1.062 . . . . 0.0 110.279 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 82' ' ' ARG . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.435 ' CB ' ' O ' ' A' ' 99' ' ' ALA . 0.1 OUTLIER 166.93 59.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.63 ' HG3' HG22 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -96.22 169.83 9.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.241 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -131.87 153.0 50.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.363 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.58 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -117.72 128.98 55.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.318 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.55 ' HB2' HG23 ' A' ' 108' ' ' THR . 6.6 mt -70.18 163.92 25.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.429 1.081 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -80.83 1.39 30.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.233 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.57 -0.43 45.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.76 53.91 3.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.55 HG23 ' HB2' ' A' ' 104' ' ' LEU . 0.6 OUTLIER -146.3 175.05 10.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.341 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.58 ' CZ3' ' SG ' ' A' ' 103' ' ' CYS . 89.4 m95 -108.64 -171.2 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 108.001 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.06 179.36 4.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.343 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.1 m -58.49 -50.37 73.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.092 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -160.42 155.82 25.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.428 1.08 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.63 HG22 ' HG3' ' A' ' 101' ' ' ARG . 2.5 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 58' ' ' THR . 53.2 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.501 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 7.9 p90 -130.76 146.56 52.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' SER . 5.8 m -50.26 131.35 23.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -105.65 165.29 11.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 52.4 m -64.75 119.96 11.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.0 m -143.61 136.09 27.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -146.77 165.27 30.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.642 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -169.42 -160.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' ASP . 1.6 mm-40 -36.59 -54.26 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.572 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -133.85 59.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.615 ' O ' ' CD1' ' A' ' 71' ' ' TRP . . . -99.08 -2.99 56.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.726 ' CG2' ' CZ2' ' A' ' 71' ' ' TRP . 3.0 t 38.49 28.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 68' ' ' GLY . 0.6 OUTLIER 50.02 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 108.272 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.726 ' CZ2' ' CG2' ' A' ' 69' ' ' THR . 88.4 m95 -98.61 110.5 57.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 108.0 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.1 Cg_endo -74.98 148.81 35.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -39.0 159.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' CYS . 1.1 m -164.75 -174.77 3.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.04 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.65 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -100.73 169.31 8.02 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.65 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -74.99 154.65 42.71 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.435 1.755 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 60.8 47.56 90.59 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.568 1.168 . . . . 0.0 111.12 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -126.86 125.05 40.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.08 85.72 7.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.737 ' O ' HG12 ' A' ' 80' ' ' VAL . 41.2 t -75.26 59.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -91.69 141.82 28.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.674 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 99' ' ' ALA . 22.9 m-85 -143.23 139.42 30.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -136.01 127.52 28.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -110.65 145.92 37.11 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.3 OUTLIER -120.74 112.91 19.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.3 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.2 mt -56.88 178.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -83.39 1.39 41.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.83 1.63 40.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.58 23.02 61.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.0 p -105.4 151.37 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.466 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.669 ' HH2' HG21 ' A' ' 80' ' ' VAL . 10.6 m95 -75.07 -171.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.93 -151.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.2 p -85.35 -71.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.93 150.31 49.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.674 HG22 ' HB1' ' A' ' 99' ' ' ALA . 9.3 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 58' ' ' THR . 22.2 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CD2' ' O ' ' A' ' 74' ' ' SER . 0.8 OUTLIER -80.78 169.47 17.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.0 m -81.96 153.87 26.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 108.266 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -102.08 170.1 8.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.23 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.9 t -95.56 141.82 28.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -173.11 158.89 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.361 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 pp -96.15 162.58 13.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -110.58 -157.63 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.0 -10.97 59.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.321 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 68' ' ' GLY . 5.6 pt -101.69 38.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.341 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 33.23 45.64 0.3 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.546 1.154 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.42 ' O ' ' CD1' ' A' ' 71' ' ' TRP . 60.8 m -119.19 109.41 15.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.53 122.69 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 108.354 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.538 ' CZ3' HG12 ' A' ' 80' ' ' VAL . 60.8 m95 -103.96 122.9 42.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -75.05 143.28 28.7 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.444 1.76 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' PRO . 1.0 OUTLIER -38.06 152.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.584 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 11.4 m -151.28 -170.93 3.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . . . -95.27 156.22 37.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.87 42.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 111.036 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.02 50.81 61.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.859 ' O ' HD22 ' A' ' 79' ' ' LEU . . . -121.36 -164.15 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 0.75 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.859 HD22 ' O ' ' A' ' 78' ' ' ALA . 1.7 mm? -140.31 100.46 3.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.652 HG21 ' HH2' ' A' ' 109' ' ' TRP . 58.2 t -101.24 53.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.455 ' CB ' ' HA ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -98.57 130.74 45.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.356 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 99' ' ' ALA . 4.3 mmt180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.82 ' HB1' HG21 ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.604 ' H ' HG22 ' A' ' 113' ' ' VAL . 46.1 m-85 -148.76 106.12 3.64 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.476 ' HG3' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -135.09 126.79 29.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.241 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.37 157.19 21.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.7 125.99 53.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.585 1.178 . . . . 0.0 108.255 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.1 162.64 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.76 1.44 20.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -98.93 -0.17 42.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.37 40.03 14.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.409 1.068 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.8 p -127.8 163.63 23.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 0.786 . . . . 0.0 110.369 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.652 ' HH2' HG21 ' A' ' 80' ' ' VAL . 35.6 m95 -91.75 -172.44 3.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.35 -174.88 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.357 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.74 -42.65 73.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.958 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 175.56 127.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.82 HG21 ' HB1' ' A' ' 99' ' ' ALA . 2.4 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.1 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.579 ' CG ' ' O ' ' A' ' 74' ' ' SER . 1.4 m-85 -127.99 158.56 37.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' SER . 80.4 m -64.43 155.21 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 108.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.452 ' O ' ' CD1' ' A' ' 109' ' ' TRP . 20.7 t30 -88.84 155.24 19.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 15.4 t -80.38 147.34 31.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.45 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -179.96 160.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pp -101.34 176.4 5.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -123.16 176.47 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -62.05 -22.85 66.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.348 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.0 pt -97.24 38.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 42.27 26.75 0.38 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.792 HG22 ' NE1' ' A' ' 71' ' ' TRP . 30.9 m -88.58 105.76 17.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 110.422 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.88 151.03 45.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 108.284 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.792 ' NE1' HG22 ' A' ' 69' ' ' THR . 95.0 m95 -147.06 100.27 3.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.025 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -74.94 155.66 43.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.533 1.807 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 72' ' ' PRO . 4.2 mt-30 -34.93 149.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.579 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 1.8 m -156.05 -157.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.94 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.59 148.48 36.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 77' ' ' GLY . 18.1 Cg_endo -75.06 149.96 37.19 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.552 1.817 . . . . 0.0 110.965 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 76' ' ' PRO . . . 34.79 50.78 0.79 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 79' ' ' LEU . . . -113.14 -6.84 13.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 0.785 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.814 ' N ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER 47.57 100.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.849 HG13 ' O ' ' A' ' 80' ' ' VAL . 1.3 p -72.53 58.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -77.96 126.33 30.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.791 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.464 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 0.1 OUTLIER 169.69 110.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.383 1.052 . . . . 0.0 111.01 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.681 ' NE ' ' CE3' ' A' ' 109' ' ' TRP . 5.3 ptt180 -145.84 146.56 31.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HG3' HD22 ' A' ' 79' ' ' LEU . 49.7 tt0 -76.91 147.83 36.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.416 ' N ' ' HG2' ' A' ' 102' ' ' GLU . 0.5 OUTLIER -111.9 164.89 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 108.35 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.1 mt -91.01 151.18 21.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.6 -2.52 23.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.0 -0.53 44.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.63 48.32 4.52 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.404 ' O ' ' SG ' ' A' ' 103' ' ' CYS . 1.0 OUTLIER -138.88 147.76 42.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.415 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.681 ' CE3' ' NE ' ' A' ' 101' ' ' ARG . 96.4 m95 -76.97 -171.58 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 107.983 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.02 -135.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.1 p -99.55 -49.96 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.025 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.73 141.69 19.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.791 HG22 ' HB1' ' A' ' 99' ' ' ALA . 9.3 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -82.18 179.28 7.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 2.7 m -69.25 125.65 27.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.265 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -107.18 163.02 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.242 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 0.8 OUTLIER -56.25 123.63 15.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.6 m -152.38 160.44 43.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.88 126.4 48.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 67' ' ' ILE . 3.8 t70 -91.91 -170.63 2.61 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -39.48 -29.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.89 HD12 HG21 ' A' ' 69' ' ' THR . 20.8 pt -93.91 106.6 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -30.62 -42.18 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.89 HG21 HD12 ' A' ' 67' ' ' ILE . 9.7 t -36.2 96.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 0.794 . . . . 0.0 110.4 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 68' ' ' GLY . 8.9 t -52.5 168.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.272 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.921 ' CH2' HG21 ' A' ' 113' ' ' VAL . 21.1 m95 -134.91 128.19 18.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.01 139.22 24.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.55 1.816 . . . . 0.0 111.053 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.551 ' HG2' ' N ' ' A' ' 74' ' ' SER . 0.3 OUTLIER -35.32 142.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.551 ' N ' ' HG2' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -138.97 177.24 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.8 160.92 25.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.41 ' HB3' ' N ' ' A' ' 107' ' ' GLY . 18.5 Cg_endo -74.92 147.02 33.73 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.445 1.761 . . . . 0.0 110.998 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.48 10.76 84.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.34 -165.7 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.472 HD12 ' HG2' ' A' ' 81' ' ' GLU . 3.8 pp -174.29 123.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.754 ' O ' HG12 ' A' ' 80' ' ' VAL . 25.1 t -99.55 62.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 109.219 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.472 ' HG2' HD12 ' A' ' 79' ' ' LEU . 18.8 pt-20 -78.49 129.43 34.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 99' ' ' ALA . 11.8 ptt180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.605 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -176.21 126.88 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.555 ' HG3' HG23 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -148.96 141.63 24.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -103.5 144.83 30.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.47 106.95 17.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.328 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.7 mt -53.33 165.73 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -77.04 1.21 18.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -99.94 -2.17 35.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.41 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 79.58 50.41 5.69 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.431 1.082 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 82.7 p -140.89 138.95 34.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 0.712 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' ' 101' ' ' ARG . 71.4 m95 -65.94 -171.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 107.961 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.44 -150.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.89 -43.83 5.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -141.78 143.71 33.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.921 HG21 ' CH2' ' A' ' 71' ' ' TRP . 4.0 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 58' ' ' THR . 22.6 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.928 ' CZ ' ' HB2' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -119.29 164.75 15.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 74' ' ' SER . 11.2 m -69.13 136.02 51.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.285 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -86.05 152.4 22.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 t -73.05 130.07 39.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 t -167.1 156.76 10.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.435 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.676 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -119.46 159.5 24.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.248 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -134.14 -153.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.26 -26.11 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.347 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.566 ' HB ' HG22 ' A' ' 69' ' ' THR . 12.6 pt -101.05 101.24 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.444 1.09 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -34.71 -36.37 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.632 HG23 ' O ' ' A' ' 69' ' ' THR . 12.6 t -41.55 98.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.76 . . . . 0.0 110.435 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.6 t -66.12 137.6 57.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 108.316 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.539 ' CE3' HG11 ' A' ' 80' ' ' VAL . 77.7 m95 -109.14 117.7 52.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.014 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.1 Cg_endo -75.03 143.93 29.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -37.07 153.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 110.32 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.584 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -156.07 -170.44 3.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.036 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.928 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . . . -94.51 166.71 14.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.244 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.569 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -74.99 151.16 39.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.544 1.813 . . . . 0.0 111.051 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 46.97 47.1 19.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 79' ' ' LEU . . . -101.2 -9.69 21.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 0.723 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER 39.0 90.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.766 ' O ' HG12 ' A' ' 80' ' ' VAL . 25.6 t -77.02 61.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -78.1 119.97 22.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.651 ' O ' HG13 ' A' ' 113' ' ' VAL . 53.7 t80 -161.45 100.24 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.978 ' CG ' HG11 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -104.53 93.58 4.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.224 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.529 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 2.8 pt-20 -81.03 122.37 27.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.298 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.598 ' SG ' ' CE3' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -103.88 139.31 39.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 108.32 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.2 158.63 26.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.81 -2.49 20.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.62 1.27 56.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 77.58 46.78 9.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.445 1.09 . . . . 0.0 111.088 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.7 p -131.23 173.1 11.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 110.487 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.598 ' CE3' ' SG ' ' A' ' 103' ' ' CYS . 6.9 m95 -105.3 179.53 4.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.529 ' HB2' ' HG3' ' A' ' 102' ' ' GLU . . . -96.73 -153.14 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.54 -74.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.42 121.57 44.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 110.245 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.978 HG11 ' CG ' ' A' ' 101' ' ' ARG . 41.9 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.25 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -120.83 147.07 45.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 7.7 m -44.42 128.64 6.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 108.273 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -108.66 166.32 10.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 71' ' ' TRP . 98.2 m -64.86 122.13 16.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 t -147.98 158.64 44.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.399 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 pp -91.94 140.43 29.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -93.74 -171.43 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -71.37 -12.82 61.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.9 pt -103.93 38.73 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 36.92 45.39 1.08 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.508 HG23 ' CD1' ' A' ' 71' ' ' TRP . 3.7 t -120.62 117.71 28.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 0.727 . . . . 0.0 110.439 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.9 t -99.87 110.15 22.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 108.274 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.843 ' O ' HG23 ' A' ' 62' ' ' THR . 23.7 m0 -95.46 157.4 36.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 108.002 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.0 146.91 33.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.446 ' N ' ' OG1' ' A' ' 62' ' ' THR . 0.0 OUTLIER -44.05 169.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.42 170.53 22.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.936 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.33 159.15 45.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 146.25 32.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.428 1.752 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.84 4.86 59.77 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.28 -150.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.73 . . . . 0.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.65 94.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.554 ' O ' HG12 ' A' ' 80' ' ' VAL . 89.1 t -93.61 61.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.526 ' HA ' ' CB ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -96.07 150.06 20.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 110.262 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.526 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 15.7 p90 -134.78 144.53 47.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.061 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.494 ' HG3' ' CB ' ' A' ' 113' ' ' VAL . 2.0 mtt180 -133.74 127.09 32.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.721 ' HG2' ' HB2' ' A' ' 110' ' ' ALA . 0.7 OUTLIER -88.22 141.22 28.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.252 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.439 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 1.6 m -104.77 111.96 24.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 108.269 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -63.94 163.53 11.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -77.42 1.33 19.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.7 -3.3 49.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.17 43.17 8.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.1 p -132.03 163.91 27.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 0.73 . . . . 0.0 110.405 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.468 ' CE3' ' HB3' ' A' ' 101' ' ' ARG . 14.6 m95 -87.93 -173.13 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.721 ' HB2' ' HG2' ' A' ' 102' ' ' GLU . . . -91.38 -162.2 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.4 p -70.07 -51.98 27.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.074 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -179.04 121.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.822 HG21 ' CH2' ' A' ' 71' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.386 -0.228 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.798 ' CE1' ' HB2' ' A' ' 75' ' ' ALA . 3.4 t80 -97.49 166.67 11.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.438 ' HB2' ' N ' ' A' ' 74' ' ' SER . 41.8 m -77.29 161.36 28.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.317 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -117.77 167.73 11.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 8.9 t -93.63 134.81 35.54 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.67 169.2 24.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.449 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.805 HD12 ' N ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -151.55 159.24 44.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.805 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -173.67 -164.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -37.7 -48.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.694 HD13 ' H ' ' A' ' 67' ' ' ILE . 0.1 OUTLIER -132.49 35.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.624 ' O ' ' CD1' ' A' ' 71' ' ' TRP . . . -78.47 -17.2 78.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.645 ' CG2' ' CZ2' ' A' ' 71' ' ' TRP . 4.2 t 39.23 28.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' GLY . 5.9 t 45.63 83.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.645 ' CZ2' ' CG2' ' A' ' 69' ' ' THR . 87.0 m95 -79.03 114.72 46.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 107.963 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.462 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.9 64.76 5.98 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER 40.5 -165.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.552 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 168.09 179.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.798 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . . . -99.07 162.06 22.71 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.438 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.6 Cg_endo -74.9 145.57 32.01 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 111.035 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 67.16 18.28 68.97 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.614 ' O ' HD12 ' A' ' 79' ' ' LEU . . . -86.62 -155.94 0.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -164.0 113.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.76 ' O ' HG12 ' A' ' 80' ' ' VAL . 25.3 t -110.9 61.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -100.77 143.13 31.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.358 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.977 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.481 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -154.96 124.31 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 111.028 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.449 ' CG ' HG23 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -149.63 122.09 8.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.94 162.14 14.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -113.33 113.84 25.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.3 mt -54.0 173.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -77.8 1.13 21.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -97.31 -1.85 43.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.33 23.11 61.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.596 1.185 . . . . 0.0 111.069 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.3 p -110.96 172.02 7.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 110.371 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.515 ' CZ2' ' HB3' ' A' ' 71' ' ' TRP . 56.2 m95 -92.19 -172.04 3.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.8 -170.44 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -60.05 3.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.468 ' HG2' HD11 ' A' ' 67' ' ' ILE . 2.3 ttt180 -178.78 128.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.977 HG22 ' HB1' ' A' ' 99' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 58' ' ' THR . 4.4 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.715 ' CE1' ' HB2' ' A' ' 75' ' ' ALA . 20.1 t80 -114.89 159.3 20.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.46 ' HB2' ' CA ' ' A' ' 74' ' ' SER . 10.0 m -75.1 133.21 41.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 108.342 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -93.16 168.08 11.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.427 ' N ' ' HG2' ' A' ' 73' ' ' GLN . 5.9 t -90.06 130.46 36.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.427 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.41 172.84 2.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.391 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.588 ' O ' HD12 ' A' ' 64' ' ' LEU . 4.4 pp -130.23 125.3 34.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -169.68 36.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.413 ' OE1' ' NE1' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -123.34 -65.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.267 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -143.75 38.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.1 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.26 -3.76 65.48 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 m -88.57 148.51 24.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.445 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -114.76 120.75 41.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.497 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . 0.4 OUTLIER -90.96 129.45 44.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.5 Cg_endo -74.96 83.27 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 62' ' ' THR . 3.8 mt-30 47.64 -176.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.615 ' OG ' ' CH2' ' A' ' 109' ' ' TRP . 0.0 OUTLIER 176.48 179.01 0.21 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.087 . . . . 0.0 110.004 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.715 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . . . -112.68 166.8 10.28 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.564 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -74.99 145.04 30.99 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.551 1.817 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 56.43 16.14 14.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.662 ' O ' HD22 ' A' ' 79' ' ' LEU . . . -71.79 -147.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.769 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.787 HD12 ' CG ' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -158.87 86.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.709 HG21 ' HH2' ' A' ' 109' ' ' TRP . 79.1 t -89.77 65.57 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.787 ' CG ' HD12 ' A' ' 79' ' ' LEU . 23.4 mt-10 -74.34 139.91 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.705 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 12.7 ttm-85 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 82' ' ' ARG . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.792 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -100.03 161.71 13.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.68 ' CZ ' ' HB2' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -160.35 142.47 12.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.411 ' C ' HH12 ' A' ' 101' ' ' ARG . 2.6 pt-20 -103.85 129.46 51.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.349 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -68.35 130.29 42.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 108.375 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.79 160.5 9.36 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -69.86 -4.52 20.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.659 ' HB3' HG23 ' A' ' 108' ' ' THR . 0.6 OUTLIER -99.73 8.09 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 70.68 15.01 73.12 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.659 HG23 ' HB3' ' A' ' 106' ' ' ASN . 45.6 p -89.43 176.89 6.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 0.729 . . . . 0.0 110.373 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.709 ' HH2' HG21 ' A' ' 80' ' ' VAL . 4.5 m95 -93.84 179.15 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 108.033 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.641 ' N ' HH21 ' A' ' 101' ' ' ARG . . . -98.9 141.49 31.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.15 -51.28 4.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.597 1.186 . . . . 0.0 109.953 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -165.99 123.24 1.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 100' ' ' TYR . 12.5 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.492 ' C ' ' CD1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -142.54 166.08 25.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 111.051 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.84 128.56 34.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 108.325 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 62' ' ' THR . 16.6 t-20 -90.96 163.28 14.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.26 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 13.0 t -85.42 114.01 22.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -148.33 159.8 43.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.08 . . . . 0.0 110.442 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 pp -79.08 163.85 24.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.499 ' OD1' ' CZ ' ' A' ' 101' ' ' ARG . 4.7 t0 -125.75 -164.16 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -55.33 -42.74 74.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.527 ' O ' ' C ' ' A' ' 68' ' ' GLY . 42.0 pt -102.21 34.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.527 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 25.06 54.03 0.05 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.426 1.079 . . . . 0.0 111.065 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.551 ' O ' HG22 ' A' ' 69' ' ' THR . 1.1 m -84.0 11.49 7.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.434 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.507 ' C ' ' O ' ' A' ' 69' ' ' THR . 0.5 OUTLIER 33.29 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 108.291 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.482 ' O ' ' HA ' ' A' ' 62' ' ' THR . 91.8 m95 -87.85 124.02 67.97 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -74.96 147.83 34.62 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.461 1.769 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.472 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 3.2 mt-30 -37.95 157.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.6 m -157.23 -166.38 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 110.044 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.503 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -117.01 164.53 18.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.503 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -75.08 148.63 35.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.91 44.11 98.28 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.03 -170.39 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.611 0.83 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.447 ' CD2' ' OE1' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -145.26 103.45 3.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.404 1.065 . . . . 0.0 109.349 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.629 HG21 ' HH2' ' A' ' 109' ' ' TRP . 26.3 t -102.12 52.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.543 ' HB2' ' CD2' ' A' ' 100' ' ' TYR . 8.7 pt-20 -87.84 149.17 24.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.336 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.843 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 99' ' ' ALA . 47.0 m-85 -157.06 109.32 2.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.499 ' CZ ' ' OD1' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -125.63 125.92 43.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -110.52 164.06 13.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.75 116.54 28.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 108.298 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.8 mt -56.09 169.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.242 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -78.63 1.13 23.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.45 -1.63 40.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.227 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 82.8 24.73 52.26 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.46 1.1 . . . . 0.0 110.956 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.9 p -104.3 175.65 5.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.362 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.629 ' HH2' HG21 ' A' ' 80' ' ' VAL . 13.1 m95 -96.03 -172.22 2.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.471 ' HB3' ' HE ' ' A' ' 101' ' ' ARG . . . -84.7 -144.07 0.09 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.501 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -91.47 -44.65 8.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.969 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.573 ' O ' HG12 ' A' ' 113' ' ' VAL . 5.8 mtt180 167.0 48.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.843 HG22 ' HB1' ' A' ' 99' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 58' ' ' THR . 12.8 t . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 6.9 p90 -125.66 155.24 41.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 76' ' ' PRO . 7.6 m -47.97 132.53 15.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.228 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -111.96 172.6 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 1.8 m -75.19 106.97 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.474 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -136.6 164.52 28.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.366 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' A' ' 63' ' ' THR . 0.5 OUTLIER -123.1 122.18 37.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.496 ' OD2' ' CZ ' ' A' ' 101' ' ' ARG . 0.2 OUTLIER -90.27 -167.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.345 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' ASP . 3.1 tp60 -38.42 -30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.53 HD11 ' CZ2' ' A' ' 71' ' ' TRP . 25.6 pt -91.09 103.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -32.24 -38.58 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.553 1.158 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' ILE . 1.7 m -44.54 110.59 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 0.742 . . . . 0.0 110.353 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.47 153.42 35.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 108.255 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.53 ' CZ2' HD11 ' A' ' 67' ' ' ILE . 96.8 m95 -118.21 135.7 23.62 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.138 . . . . 0.0 107.98 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 138.03 22.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.34 162.72 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.03 -178.94 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.45 157.3 65.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.479 ' HB3' ' HA2' ' A' ' 107' ' ' GLY . 18.5 Cg_endo -75.0 171.26 18.68 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.571 1.827 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 52.0 66.67 2.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -157.42 -147.4 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 0.736 . . . . 0.0 109.245 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.634 ' N ' HD23 ' A' ' 79' ' ' LEU . 1.2 pt? -169.87 133.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.706 ' O ' HG12 ' A' ' 80' ' ' VAL . 40.8 t -114.22 63.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.501 ' OE2' HD12 ' A' ' 79' ' ' LEU . 38.9 mt-10 -77.12 133.21 39.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.58 ' HB1' HG12 ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.659 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -146.0 127.8 15.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.659 ' CG ' HG22 ' A' ' 113' ' ' VAL . 13.2 ttt180 -128.39 131.27 48.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -100.52 149.57 23.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.32 135.67 45.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 76' ' ' PRO . 1.2 tp -86.97 151.77 22.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.55 -0.17 16.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.55 -9.23 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.479 ' HA2' ' HB3' ' A' ' 76' ' ' PRO . . . 101.34 8.93 45.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.61 1.194 . . . . 0.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 109' ' ' TRP . 0.6 OUTLIER -135.52 174.09 10.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 110.415 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.578 ' CE3' ' HD3' ' A' ' 101' ' ' ARG . 63.6 m95 -77.2 -163.4 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 107.986 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.12 -107.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.35 -38.46 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.07 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -178.96 155.59 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.659 HG22 ' CG ' ' A' ' 101' ' ' ARG . 5.9 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 58' ' ' THR . 10.9 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -126.33 -178.53 4.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.414 ' O ' ' O ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -92.01 138.52 31.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.297 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -120.63 -167.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 1.2 m -73.2 127.97 34.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -166.81 174.83 8.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 110.446 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.4 ' N ' HG23 ' A' ' 63' ' ' THR . 3.0 pp -119.38 128.16 53.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.437 ' HB2' ' CD1' ' A' ' 71' ' ' TRP . 18.6 t0 -78.97 179.36 7.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -57.26 -21.81 36.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.244 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.499 ' O ' ' C ' ' A' ' 68' ' ' GLY . 2.1 pt -93.12 37.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.499 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 29.68 42.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.592 ' O ' ' CD1' ' A' ' 71' ' ' TRP . 39.1 m -107.4 107.57 18.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.783 . . . . 0.0 110.434 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.45 110.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 108.222 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.644 ' CE3' HG11 ' A' ' 80' ' ' VAL . 96.7 m95 -101.84 127.63 30.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 156.59 43.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.5 154.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -159.99 171.81 18.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.991 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.487 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -97.94 163.98 18.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.487 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.5 Cg_endo -74.95 146.57 33.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.538 1.809 . . . . 0.0 111.064 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.53 26.57 68.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.26 -150.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.74 111.68 2.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.237 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.89 HG21 ' CH2' ' A' ' 109' ' ' TRP . 70.7 t -102.58 50.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.489 ' CB ' ' HA ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -83.84 140.13 32.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.775 ' HG3' ' HB3' ' A' ' 99' ' ' ALA . 11.4 ptp180 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.775 ' HB3' ' HG3' ' A' ' 82' ' ' ARG . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.489 ' HA ' ' CB ' ' A' ' 81' ' ' GLU . 0.2 OUTLIER 171.97 52.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.759 ' HB3' HG13 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -101.78 -164.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 2.8 pt-20 -151.91 140.07 20.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.02 138.47 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 108.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.21 156.89 36.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.24 1.71 17.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.41 1.26 41.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.78 36.66 18.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.138 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 70.0 p -128.69 139.94 51.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.89 ' CH2' HG21 ' A' ' 80' ' ' VAL . 48.1 m95 -56.9 -171.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.034 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 102' ' ' GLU . . . -99.74 -175.19 2.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.38 -55.74 3.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.023 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -147.81 122.41 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.252 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.759 HG13 ' HB3' ' A' ' 101' ' ' ARG . 22.1 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 58' ' ' THR . 12.0 t . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 60' ' ' CYS . 40.7 p90 -102.81 166.84 10.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' TYR . 10.9 m -41.17 134.09 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.451 ' HA ' ' CG ' ' A' ' 73' ' ' GLN . 24.7 t30 -96.64 172.78 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.172 . . . . 0.0 109.301 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 t -87.25 130.73 34.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.462 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -166.66 176.21 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.64 ' CD2' ' O ' ' A' ' 68' ' ' GLY . 14.3 mt -117.48 152.51 34.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.23 -153.19 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.354 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -47.55 -28.55 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.547 ' C ' ' H ' ' A' ' 69' ' ' THR . 0.5 OUTLIER -110.49 110.08 30.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.08 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.64 ' O ' ' CD2' ' A' ' 64' ' ' LEU . . . -50.92 -7.21 0.16 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.17 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.547 ' H ' ' C ' ' A' ' 67' ' ' ILE . 14.7 m -62.25 72.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 110.444 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' A' ' 68' ' ' GLY . 0.6 OUTLIER -38.73 127.98 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.455 ' HH2' ' HB3' ' A' ' 99' ' ' ALA . 49.8 m95 -101.61 115.88 64.31 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 75.14 3.78 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.451 ' CG ' ' HA ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER 52.61 172.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.583 ' OG ' ' CZ2' ' A' ' 109' ' ' TRP . 3.6 m -159.37 -157.82 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.7 152.88 80.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.36 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.427 ' HB3' ' N ' ' A' ' 107' ' ' GLY . 18.4 Cg_endo -74.94 139.82 24.91 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.538 1.81 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.47 20.54 77.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.557 1.161 . . . . 0.0 111.059 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.788 ' C ' HD13 ' A' ' 79' ' ' LEU . . . -126.08 157.89 36.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.789 HD13 ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -123.71 110.8 15.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.589 ' O ' HG12 ' A' ' 80' ' ' VAL . 75.6 t -68.59 63.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 109.222 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 79' ' ' LEU . 4.6 pt-20 -76.4 130.31 37.85 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.398 1.061 . . . . 0.0 110.32 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.65 ' HB1' ' CG2' ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.496 ' CD1' ' C ' ' A' ' 99' ' ' ALA . 22.5 m-85 -154.42 106.44 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -124.73 143.21 50.89 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 79' ' ' LEU . 12.5 pt-20 -110.22 152.97 25.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 110.222 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.31 132.64 48.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 108.3 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 47.8 mt -66.06 168.69 7.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -79.52 1.24 26.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.357 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.9 -2.77 49.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.427 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 82.45 33.06 26.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 67.4 p -123.11 162.91 21.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 0.73 . . . . 0.0 110.363 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.583 ' CZ2' ' OG ' ' A' ' 74' ' ' SER . 23.5 m95 -80.83 -171.71 3.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 107.975 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.0 -156.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.36 -66.4 0.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -177.78 163.61 1.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.634 1.209 . . . . 0.0 110.278 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.65 ' CG2' ' HB1' ' A' ' 99' ' ' ALA . 1.4 p . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.68 170.5 21.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 0.806 . . . . 0.0 109.962 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -132.79 68.01 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.2 ttt -169.08 115.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 0.786 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -179.92 -179.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.21 112.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.239 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -176.48 145.5 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -159.45 164.99 34.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -177.4 142.09 0.33 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.34 117.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.354 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -125.0 -176.23 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -134.42 163.93 28.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -51.81 132.12 31.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -170.52 111.77 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.265 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -117.5 -60.95 1.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 110.27 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -176.38 156.21 1.54 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 109.598 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.69 35.45 1.03 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.2 t70 61.43 146.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.209 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m 167.56 152.78 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.021 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.434 ' O ' ' CB ' ' A' ' 36' ' ' LEU . 4.3 t70 -107.44 147.24 30.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.434 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER 83.39 -51.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.1 129.59 3.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.517 1.135 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.4 t -81.12 2.38 27.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 110.375 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -174.28 124.42 0.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.468 HD23 ' H ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -69.63 150.13 47.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 mt -87.67 3.43 47.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.341 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -121.15 34.07 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.44 -44.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 45' ' ' CYS . 6.8 p90 -176.48 -37.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.531 1.145 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.592 ' O ' ' CD2' ' A' ' 44' ' ' TYR . 1.8 t 61.6 -145.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 108.306 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.524 ' CG ' ' HB3' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -74.45 -166.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.57 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.473 ' O ' ' C ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -57.39 -36.28 71.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.588 1.18 . . . . 0.0 110.313 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 48' ' ' THR . 10.2 t 32.53 89.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.444 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 49' ' ' THR . 15.0 t -139.5 87.83 2.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.112 . . . . 0.0 110.449 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.2 tt -171.68 163.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.407 1.067 . . . . 0.0 109.26 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.72 58.1 0.34 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.434 1.084 . . . . 0.0 111.033 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.8 t30 68.55 52.99 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.792 . . . . 0.0 109.324 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -168.26 -40.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.93 76.39 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -111.11 98.9 1.08 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.103 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.483 ' HG2' ' CE1' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.07 -66.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.79 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.483 ' CE1' ' HG2' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -121.75 -169.69 1.91 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.6 m -100.31 34.31 2.41 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.416 1.072 . . . . 0.0 110.39 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.488 ' C ' ' CD1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -79.12 167.74 20.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.2 m -66.01 148.72 51.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 108.28 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -114.71 163.3 15.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.369 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.42 ' N ' ' HG3' ' A' ' 73' ' ' GLN . 2.5 m -62.68 126.18 26.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -158.42 159.4 35.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 0.0 110.449 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.69 ' O ' HD12 ' A' ' 64' ' ' LEU . 4.0 pp -132.52 126.36 32.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.364 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' C ' ' N ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -95.48 -160.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' ASP . 17.0 mp0 -38.83 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.39 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.967 HD13 HG12 ' A' ' 113' ' ' VAL . 5.2 mp -89.46 102.7 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -35.53 -42.52 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.687 ' HB ' HG22 ' A' ' 67' ' ' ILE . 1.8 m -46.29 109.79 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.754 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.2 p -82.61 143.22 31.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 108.344 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.511 ' HH2' ' HB3' ' A' ' 99' ' ' ALA . 21.2 m95 -110.67 141.78 24.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.036 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.524 ' HB3' ' CG ' ' A' ' 46' ' ' HIS . 18.3 Cg_endo -74.98 143.36 29.04 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.545 1.813 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -36.17 150.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.395 1.059 . . . . 0.0 110.279 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -143.0 -171.52 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.31 153.52 37.7 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 147.35 33.63 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.76 5.78 70.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.79 -157.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.9 132.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.739 ' O ' HG12 ' A' ' 80' ' ' VAL . 40.2 t -103.52 59.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.62 143.32 26.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.419 ' N ' ' HD3' ' A' ' 83' ' ' PRO . 18.2 mtm180 -151.86 63.75 5.46 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.343 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -74.97 102.26 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.54 1.81 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.6 m 65.36 158.33 0.13 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 108.231 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -59.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.446 1.761 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.56 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -134.51 143.22 47.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.571 ' HD1' HD22 ' A' ' 89' ' ' ASN . 2.4 t80 -78.67 59.72 2.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 89' ' ' ASN . 25.6 p90 -76.83 -45.21 29.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.571 HD22 ' HD1' ' A' ' 87' ' ' TYR . 42.0 m-20 66.12 80.9 0.21 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.594 1.184 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 104.41 57.94 0.7 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.458 1.099 . . . . 0.0 111.045 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.556 HG23 ' N ' ' A' ' 92' ' ' LYS . 0.3 OUTLIER -158.46 169.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.513 0.772 . . . . 0.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.556 ' N ' HG23 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -83.66 108.95 17.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.401 1.063 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -80.62 172.49 13.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -108.92 -28.61 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.4 m 63.27 109.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.435 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 72.7 p -122.16 53.89 1.2 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 55.44 66.24 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.552 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 15.8 p30 -57.28 155.91 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 1.046 ' HB1' ' CG2' ' A' ' 113' ' ' VAL . . . 172.97 171.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.248 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -148.61 102.39 3.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.4 125.62 31.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.534 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 1.2 pt-20 -100.88 154.13 18.92 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 108' ' ' THR . 0.1 OUTLIER -117.52 117.08 28.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 108.256 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.1 mt -59.06 165.16 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.237 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -77.8 1.4 20.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.66 -2.73 40.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.14 49.93 4.78 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 103' ' ' CYS . 66.2 p -140.44 156.2 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 0.81 . . . . 0.0 110.36 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -82.84 -171.46 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.604 1.19 . . . . 0.0 107.977 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.534 ' HB2' ' HG3' ' A' ' 102' ' ' GLU . . . -99.35 -168.23 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -58.64 7.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -174.01 137.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 1.046 ' CG2' ' HB1' ' A' ' 99' ' ' ALA . 2.3 p -48.13 154.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -167.66 155.29 8.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.557 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 28.1 p90 -177.0 98.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.489 ' O ' ' CD ' ' A' ' 120' ' ' PRO . 56.0 p -119.58 1.13 11.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -93.7 15.08 17.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.562 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 8.6 t -117.11 -47.92 2.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 108.349 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.497 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -47.72 -51.84 42.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.3 Cg_endo -75.03 119.29 5.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 12.2 mm -140.08 155.26 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.362 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.47 53.44 2.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -179.93 81.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 177.33 133.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm 173.69 87.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -144.14 175.93 9.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 4.1 mtm-85 65.55 136.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.251 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.76 -63.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.439 ' CG ' ' N ' ' A' ' 130' ' ' ASP . 43.2 t80 53.39 171.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.439 ' N ' ' CG ' ' A' ' 129' ' ' TYR . 0.2 OUTLIER 173.72 166.53 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 54.8 tp -129.26 133.84 47.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.37 144.83 46.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.608 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.9 t -167.2 165.79 15.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.963 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.36 126.53 8.67 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.416 1.073 . . . . 0.0 111.039 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -179.38 -172.51 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.764 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.3 mttt 61.79 -176.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 59.43 115.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.231 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.7 m -162.07 153.88 18.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 110.42 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -147.93 165.14 31.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -177.6 150.83 0.7 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.439 ' O ' ' CG ' ' A' ' 25' ' ' LYS . . . -163.94 178.29 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -173.57 175.98 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -165.58 176.4 8.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -174.15 167.7 4.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 0.0 110.31 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.04 167.61 4.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.14 -62.79 1.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 56.78 175.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.3 mtt 60.45 121.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 178.31 159.3 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -167.77 150.39 5.5 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.797 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.57 141.57 47.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.74 85.38 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.5 42.15 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.557 1.161 . . . . 0.0 110.943 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.403 ' C ' ' OG1' ' A' ' 39' ' ' THR . 81.2 p -80.13 51.02 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.366 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.469 HG22 ' CD2' ' A' ' 40' ' ' LEU . 2.6 m -154.13 -137.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.469 ' CD2' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -114.81 -51.97 2.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 65.03 73.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.484 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 2.6 mt-10 60.51 47.8 8.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.251 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.428 ' O ' ' CD2' ' A' ' 44' ' ' TYR . 64.7 mm-40 51.94 -97.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.275 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.428 ' CD2' ' O ' ' A' ' 43' ' ' GLN . 1.4 m-85 -177.22 78.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.49 ' O ' HG21 ' A' ' 62' ' ' THR . 28.6 p -139.25 73.51 1.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.519 ' HE1' HG23 ' A' ' 49' ' ' THR . 48.6 t-80 -45.13 159.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.592 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 48' ' ' THR . 0.6 OUTLIER -80.66 -91.66 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.357 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.442 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 13.8 t -175.0 -41.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.393 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.519 HG23 ' HE1' ' A' ' 46' ' ' HIS . 13.1 p 38.38 90.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.7 tt -61.38 -22.56 27.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.58 131.98 3.77 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 60.43 115.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 0.807 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 54' ' ' SER . 41.5 t80 60.03 94.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.158 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' PHE . 60.1 p -37.8 107.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.47 105.3 0.01 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -71.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.476 1.777 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.73 ' CE1' ' CD1' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -53.52 -172.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 58' ' ' THR . 3.3 t -91.27 89.52 7.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.73 ' CD1' ' CE1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -119.0 174.08 6.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 96.8 m -88.5 150.16 23.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.308 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -106.47 160.65 15.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.49 HG21 ' O ' ' A' ' 45' ' ' CYS . 1.8 m -71.51 122.11 19.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.399 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 m -143.39 152.93 42.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.427 1.08 . . . . 0.0 110.36 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.641 ' O ' HD12 ' A' ' 64' ' ' LEU . 4.2 pp -116.54 134.69 54.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.491 ' OD2' HG23 ' A' ' 113' ' ' VAL . 22.0 t0 -96.86 -178.01 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -64.83 -11.4 36.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.274 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 69' ' ' THR . 4.8 mt -102.49 38.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 34.79 37.9 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 67' ' ' ILE . 1.1 p -88.33 92.89 9.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 110.394 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.12 93.51 8.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.072 . . . . 0.0 108.254 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.408 ' O ' ' HA ' ' A' ' 62' ' ' THR . 68.7 m95 -88.67 113.41 55.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.008 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.471 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.03 81.5 2.21 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.812 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER 53.33 169.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.485 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 64.7 m -169.96 -173.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.929 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.03 157.42 52.96 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.49 31.51 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.584 1.834 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 57.91 49.36 75.41 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.578 1.174 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.835 ' O ' HD22 ' A' ' 79' ' ' LEU . . . -125.72 -161.39 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 0.796 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.835 HD22 ' O ' ' A' ' 78' ' ' ALA . 1.1 mm? -142.71 110.44 5.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.762 ' O ' HG12 ' A' ' 80' ' ' VAL . 54.0 t -110.16 49.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -102.84 161.97 13.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 82' ' ' ARG . 3.7 ptp180 -171.62 63.58 0.37 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 82' ' ' ARG . 18.1 Cg_endo -74.99 131.86 14.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 26.5 m 67.34 112.98 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 108.263 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -166.17 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 54.44 -174.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 0.9 OUTLIER -118.91 105.92 11.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.647 ' CE2' ' ND2' ' A' ' 89' ' ' ASN . 7.2 p90 -114.79 -21.92 9.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.647 ' ND2' ' CE2' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -113.38 -64.61 1.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 109.238 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 179.23 36.97 0.07 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.565 1.166 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.848 HG21 ' CE2' ' A' ' 93' ' ' TYR . 26.7 mm -137.58 150.57 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.585 0.814 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.73 106.39 14.74 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.848 ' CE2' HG21 ' A' ' 91' ' ' ILE . 9.0 m-85 -125.31 76.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -56.96 -27.95 61.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.9 p -53.65 103.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.464 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.0 m -49.29 -68.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.78 116.76 4.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 11.2 p30 -94.43 163.45 13.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.559 ' HA ' ' CD1' ' A' ' 115' ' ' TYR . . . 179.08 171.08 0.89 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.57 ' CD2' ' HB2' ' A' ' 81' ' ' GLU . 1.2 t80 -134.34 109.09 8.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.665 ' CG ' HG13 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -128.89 134.6 48.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -120.09 153.02 36.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 108' ' ' THR . 0.1 OUTLIER -112.92 113.5 25.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 108.282 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.04 171.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -78.23 1.29 22.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -98.15 -2.66 39.41 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.48 31.83 32.54 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 103' ' ' CYS . 64.6 p -113.35 174.1 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 0.798 . . . . 0.0 110.371 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.681 ' HH2' HG21 ' A' ' 80' ' ' VAL . 6.9 m95 -100.98 -175.63 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.519 ' HB3' HH11 ' A' ' 101' ' ' ARG . . . -93.85 -156.44 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.6 p -111.35 -45.35 3.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 0.0 110.024 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.74 132.76 33.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.665 HG13 ' CG ' ' A' ' 101' ' ' ARG . 0.2 OUTLIER -94.24 72.63 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 100' ' ' TYR . 0.8 OUTLIER -96.18 175.62 6.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.559 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 3.2 p90 -161.69 105.49 1.24 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.69 1.19 29.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.62 31.72 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.585 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 84' ' ' CYS . 37.6 t -103.55 -53.96 2.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.147 . . . . 0.0 108.272 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 0.4 OUTLIER -45.15 -54.1 15.01 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.32 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.1 Cg_endo -75.04 125.95 9.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.526 1.803 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 32.7 mm -75.05 134.63 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.6 1.188 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.9 -179.84 3.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.29 174.44 0.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 109.344 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.5 175.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.236 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.47 133.12 4.47 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -104.18 175.64 5.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.266 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.6 ttp-105 -39.98 117.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -40.59 -66.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 26.4 t80 55.53 173.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -150.74 169.28 22.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.95 -175.54 2.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.083 . . . . 0.0 109.332 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -163.99 146.81 9.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.595 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 68.7 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.4 t -170.54 170.28 6.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 0.746 . . . . 0.0 110.021 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.01 168.35 39.65 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 50.6 mmm -142.12 141.63 32.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 0.756 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -112.49 164.07 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -142.79 167.2 22.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -134.23 146.55 50.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.65 142.95 33.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.27 -62.05 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -174.77 176.76 2.18 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -69.47 141.76 53.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -99.2 173.37 6.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.86 167.75 24.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.82 158.25 24.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -120.09 -58.6 1.86 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.122 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 30' ' ' HIS . 1.7 t-80 40.1 89.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.543 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.05 -56.92 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.72 167.17 14.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 m -162.79 149.71 10.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.517 1.798 . . . . 0.0 111.01 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.05 122.45 18.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.74 80.53 1.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.567 ' HA3' HD11 ' A' ' 41' ' ' LEU . . . 169.57 70.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.108 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.1 t -89.0 35.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 0.755 . . . . 0.0 110.373 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.831 ' OG1' HD23 ' A' ' 40' ' ' LEU . 9.6 t -160.78 -138.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.46 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.831 HD23 ' OG1' ' A' ' 39' ' ' THR . 1.5 pt? -120.92 107.66 12.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.567 HD11 ' HA3' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -93.42 8.98 38.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 44' ' ' TYR . 19.3 mp0 -114.63 22.1 13.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.58 ' O ' ' CD2' ' A' ' 44' ' ' TYR . 5.3 tt0 -68.45 62.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.58 ' CD2' ' O ' ' A' ' 43' ' ' GLN . 2.0 m-85 176.12 81.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.15 52.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.324 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -61.71 134.38 56.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.57 1.169 . . . . 0.0 109.553 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.521 ' C ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -103.22 -99.68 0.29 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.521 HG22 ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 169.68 171.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 110.415 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.446 ' N ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER 176.83 102.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.445 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' THR . 19.1 tt 39.73 30.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' THR . . . 40.37 62.49 1.56 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -168.22 -80.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 173.29 -40.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.407 ' O ' ' OG1' ' A' ' 49' ' ' THR . 0.5 OUTLIER -61.39 157.39 16.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.963 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.74 108.48 0.91 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.441 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -74.98 -65.95 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.441 ' CD2' ' HG2' ' A' ' 56' ' ' PRO . 24.3 p90 -93.95 160.68 14.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.5 m -80.7 102.77 10.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.367 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.53 164.21 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' SER . 6.5 m -53.08 161.6 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -108.03 170.81 7.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.479 ' O ' ' CB ' ' A' ' 63' ' ' THR . 6.4 t -102.23 136.22 42.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.376 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.479 ' CB ' ' O ' ' A' ' 62' ' ' THR . 0.6 OUTLIER 168.18 160.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.765 ' C ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -120.09 141.4 49.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.85 35.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.358 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.473 ' NE2' ' CZ ' ' A' ' 101' ' ' ARG . 2.9 mp0 -123.9 -77.25 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -140.14 37.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.86 -36.83 3.31 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.457 1.098 . . . . 0.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.3 m -55.65 112.94 1.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.747 . . . . 0.0 110.437 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.56 139.72 37.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 108.321 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.412 ' CD2' ' HD3' ' A' ' 101' ' ' ARG . 1.0 OUTLIER -117.53 115.6 37.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 108.024 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.45 ' HA ' ' OG1' ' A' ' 62' ' ' THR . 18.0 Cg_endo -74.96 151.27 39.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.773 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 72' ' ' PRO . 7.2 mt-30 -36.82 152.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.262 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' CYS . 0.7 OUTLIER -156.4 168.3 27.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.31 154.45 90.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.12 37.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.568 1.825 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.89 59.59 9.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.413 1.071 . . . . 0.0 110.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.34 -165.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 0.721 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.79 104.23 5.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.391 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.769 ' O ' HG12 ' A' ' 80' ' ' VAL . 22.9 t -96.0 61.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.479 ' CB ' ' HA ' ' A' ' 100' ' ' TYR . 14.6 pt-20 -98.49 156.59 16.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 82' ' ' ARG . 3.9 ptp180 -162.85 145.84 8.48 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 125.47 9.34 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.475 1.776 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 59.5 m -42.78 103.38 0.31 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.14 . . . . 0.0 108.312 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.557 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 18.3 Cg_endo -74.96 176.92 9.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.781 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -70.31 165.56 22.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.256 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.548 ' CG ' ' O ' ' A' ' 87' ' ' TYR . 31.0 t80 49.93 53.06 13.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.606 ' CZ ' ' CG ' ' A' ' 89' ' ' ASN . 21.2 p90 -121.7 -47.41 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 110.985 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.782 ' HB2' HG23 ' A' ' 121' ' ' ILE . 53.0 p-10 -113.39 -21.37 10.93 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.423 1.077 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.451 ' N ' ' OD1' ' A' ' 89' ' ' ASN . . . 153.61 -49.0 0.52 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.847 HD12 ' HB3' ' A' ' 124' ' ' ASP . 6.5 tt -93.21 173.1 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -78.51 -172.14 2.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.446 ' O ' ' CG ' ' A' ' 93' ' ' TYR . 5.3 p90 -78.99 133.2 36.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 95' ' ' THR . 3.9 m120 -121.03 -1.27 9.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.499 HG22 ' H ' ' A' ' 96' ' ' THR . 2.5 m 76.23 -179.92 0.16 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.524 1.14 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.499 ' H ' HG22 ' A' ' 95' ' ' THR . 24.0 m 72.92 -54.44 0.69 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.536 1.148 . . . . 0.0 110.371 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.43 91.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.05 139.49 50.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.371 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.764 ' HB1' ' CG2' ' A' ' 113' ' ' VAL . . . -110.98 169.99 8.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -139.98 145.21 37.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.473 ' CZ ' ' NE2' ' A' ' 66' ' ' GLN . 1.9 mtp85 -136.24 80.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.355 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.29 146.98 53.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.31 136.1 50.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.424 1.077 . . . . 0.0 108.265 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.5 mt -74.09 157.81 35.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -76.92 1.13 18.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.07 -1.61 54.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.07 43.69 8.02 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.0 p -129.99 170.38 14.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 0.772 . . . . 0.0 110.469 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.734 ' HH2' HG21 ' A' ' 80' ' ' VAL . 6.9 m95 -90.07 -171.35 3.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 107.974 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.36 -142.21 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.08 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 m -94.07 -80.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.938 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.717 ' O ' HG12 ' A' ' 113' ' ' VAL . 9.2 ptt180 -158.11 47.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.764 ' CG2' ' HB1' ' A' ' 99' ' ' ALA . 7.4 p 50.05 178.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.715 ' H ' HG22 ' A' ' 113' ' ' VAL . 7.9 t-20 -159.9 153.7 22.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.752 ' HD2' ' HB2' ' A' ' 99' ' ' ALA . 0.0 OUTLIER -179.78 121.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.9 t -91.69 0.19 57.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.993 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.34 2.36 6.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.552 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.493 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.5 OUTLIER -117.66 -7.25 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 108.234 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.592 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -79.16 -46.24 1.68 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.1 Cg_endo -75.06 110.46 3.12 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.533 1.807 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.782 HG23 ' HB2' ' A' ' 89' ' ' ASN . 3.3 mm -94.89 179.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.712 ' H ' HG22 ' A' ' 121' ' ' ILE . 0.2 OUTLIER 55.84 95.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -176.62 89.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.586 1.179 . . . . 0.0 109.194 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.847 ' HB3' HD12 ' A' ' 91' ' ' ILE . 22.4 p-10 -129.08 175.01 9.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 53.87 60.27 3.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 113.23 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.365 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.1 86.89 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.93 167.63 13.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 55.94 171.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -156.08 142.75 18.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.23 153.46 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.238 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -116.35 153.56 31.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.597 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 13.6 t80 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.592 1.183 . . . . 0.0 110.988 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.81 162.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.934 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 170.18 169.0 32.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.547 1.154 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.9 112.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.412 0.713 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.95 169.28 22.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 175.07 -39.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -48.48 147.64 2.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.395 1.06 . . . . 0.0 110.339 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -162.22 -70.25 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 62.23 148.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.27 119.53 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' O ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -167.4 114.13 0.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER 168.94 148.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 62.6 159.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.32 161.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -110.12 -57.21 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.502 ' O ' ' CG ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER 179.71 113.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.626 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 169.87 145.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 60.42 152.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -150.63 153.24 33.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.067 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.436 1.756 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 t0 40.3 -158.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.76 -67.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.83 -58.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.8 m -41.69 129.27 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 110.427 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.9 m 60.62 84.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 110.407 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.28 149.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.58 5.97 25.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.83 29.93 7.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.76 -62.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.247 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.419 ' HA ' HG21 ' A' ' 48' ' ' THR . 47.6 p90 -178.62 -36.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 70.94 -63.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.373 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 177.92 -75.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.644 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.498 ' CZ ' ' HB ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -59.56 -77.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.697 HG23 ' O ' ' A' ' 48' ' ' THR . 14.4 t 31.43 89.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.394 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.498 ' HB ' ' CZ ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -81.22 155.38 26.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.413 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 50' ' ' ILE . 96.6 mt 40.49 62.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 52' ' ' ASN . . . -51.57 -175.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.6 OUTLIER 81.86 -53.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 109.248 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.484 ' O ' ' CB ' ' A' ' 54' ' ' SER . 0.6 OUTLIER -106.44 -64.51 1.16 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.59 1.181 . . . . 0.0 111.052 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 53' ' ' PHE . 0.5 OUTLIER 159.72 -50.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.059 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.569 ' O ' ' CE2' ' A' ' 57' ' ' TYR . . . 117.33 145.83 8.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 111.061 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.61 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -74.99 -70.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.42 1.748 . . . . 0.0 110.98 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.61 ' CD1' ' O ' ' A' ' 56' ' ' PRO . 7.5 p90 41.01 -172.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 58' ' ' THR . 43.2 m -140.09 11.27 2.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 57' ' ' TYR . 4.3 p90 -117.53 169.52 9.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.074 . . . . 0.0 110.966 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.7 m -58.61 133.75 56.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 108.284 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.457 ' OD1' ' CE2' ' A' ' 57' ' ' TYR . 7.5 t30 -85.99 -172.06 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 13.9 t -100.77 134.85 43.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.46 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 t -174.69 151.59 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.362 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.811 ' O ' HD12 ' A' ' 64' ' ' LEU . 1.6 pp -120.45 117.33 27.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -84.34 -151.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -56.87 -16.66 7.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.503 ' CG2' ' HB ' ' A' ' 69' ' ' THR . 1.9 mm -99.05 105.37 17.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -33.26 -49.87 0.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.566 1.166 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.645 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -35.98 98.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 110.404 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.665 ' HB2' HD23 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -82.53 143.76 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.367 1.042 . . . . 0.0 108.332 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.69 ' CZ2' HG21 ' A' ' 113' ' ' VAL . 1.0 OUTLIER -115.85 109.94 44.68 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 108.004 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 82.31 2.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.474 1.776 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 72' ' ' PRO . 1.0 OUTLIER 59.2 148.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 73' ' ' GLN . 0.9 OUTLIER -154.54 168.37 26.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.026 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.58 151.06 55.2 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 77' ' ' GLY . 18.3 Cg_endo -74.95 158.0 42.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.444 1.76 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 76' ' ' PRO . . . 35.61 45.45 0.74 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.35 2.89 14.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 109.251 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.414 ' CD2' ' HG3' ' A' ' 102' ' ' GLU . 3.0 mm? 39.96 89.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.587 ' O ' HG12 ' A' ' 80' ' ' VAL . 76.7 t -84.9 61.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.367 1.042 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -78.05 167.52 21.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.429 ' N ' ' HD3' ' A' ' 83' ' ' PRO . 0.9 OUTLIER -164.12 62.9 1.07 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -74.99 98.14 1.14 Allowed 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.535 1.808 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 83' ' ' PRO . 52.0 m 58.88 159.44 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 108.297 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -49.05 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.485 1.781 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -147.9 156.32 42.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.588 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 6.3 p90 -88.64 32.01 0.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 93' ' ' TYR . 38.7 p90 -43.75 -50.42 7.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 111.042 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.554 ' N ' ' CD2' ' A' ' 88' ' ' PHE . 1.4 m-80 51.63 78.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.36 -44.1 1.22 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.584 HG23 ' N ' ' A' ' 92' ' ' LYS . 0.3 OUTLIER -79.3 170.26 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.584 ' N ' HG23 ' A' ' 91' ' ' ILE . 13.2 ttpt -79.1 129.15 34.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 3.2 p90 -79.18 167.79 20.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.535 ' O ' ' CB ' ' A' ' 95' ' ' THR . 2.5 m120 -96.97 2.07 51.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.233 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.535 ' CB ' ' O ' ' A' ' 94' ' ' ASN . 2.1 m 85.0 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.412 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.513 ' O ' ' C ' ' A' ' 97' ' ' ARG . 28.8 p 33.6 79.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.434 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.513 ' C ' ' O ' ' A' ' 96' ' ' THR . 13.0 mmt180 -28.72 96.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 96' ' ' THR . 4.4 p30 -66.51 148.47 51.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.895 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . 178.89 174.89 0.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.792 ' C ' HG23 ' A' ' 113' ' ' VAL . 8.9 m-85 -127.67 129.33 46.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.57 ' HD3' ' CH2' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -126.77 82.87 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.351 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.414 ' HG3' ' CD2' ' A' ' 79' ' ' LEU . 32.8 tt0 -72.26 146.36 47.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.362 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.598 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -127.18 144.06 51.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.285 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 mt -89.92 156.47 18.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -76.39 0.6 19.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.67 -0.99 53.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.11 56.97 2.91 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.459 1.1 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 76.7 p -147.83 164.15 34.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 0.762 . . . . 0.0 110.444 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.598 ' CZ3' ' SG ' ' A' ' 103' ' ' CYS . 4.9 m95 -92.74 -179.78 5.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 108.018 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.04 -154.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -76.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.25 143.89 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.895 HG22 ' HB1' ' A' ' 99' ' ' ALA . 7.3 p -84.35 134.56 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 113' ' ' VAL . 0.9 OUTLIER 157.93 -37.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.659 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 46.3 p90 -64.64 69.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.58 ' HA ' ' CD1' ' A' ' 100' ' ' TYR . 0.2 OUTLIER -96.85 -26.58 15.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.98 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.561 ' CG ' ' O ' ' A' ' 116' ' ' SER . 15.5 p80 53.03 32.84 13.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.656 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.66 -20.52 17.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.083 . . . . 0.0 108.261 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.497 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 0.8 OUTLIER -62.49 -51.18 74.85 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.315 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.3 Cg_endo -74.98 60.4 5.42 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.557 1.819 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.6 tt -76.55 176.52 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.29 46.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -82.21 72.18 9.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -171.46 173.02 4.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -49.39 171.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.32 171.66 7.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.81 174.64 7.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 9.6 tptt -134.76 -60.98 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.556 ' CG ' ' N ' ' A' ' 130' ' ' ASP . 21.4 t80 54.19 170.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.556 ' N ' ' CG ' ' A' ' 129' ' ' TYR . 1.2 p30 174.18 166.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.42 178.38 3.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.95 123.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.549 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 10.2 t80 . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.06 168.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.751 . . . . 0.0 110.016 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -122.01 70.0 0.42 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.5 ptm -134.73 175.6 9.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 110.981 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.1 mttt 63.67 117.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -167.75 132.11 1.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -139.47 162.28 35.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.36 101.75 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.65 144.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.21 79.01 9.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -153.0 157.91 41.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -107.6 162.05 14.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -63.61 147.31 51.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.46 158.58 43.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.04 -46.54 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.0 157.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.606 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.9 mtt -129.35 141.32 51.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.52 22.78 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.36 155.96 36.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.044 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.551 1.816 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.25 124.71 43.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.17 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.3 mt -147.23 -81.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 40.78 64.33 1.26 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 38' ' ' THR . 32.4 m -135.86 30.22 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 110.421 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 39' ' ' THR . 13.5 t -166.66 71.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.616 HD11 ' N ' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -53.27 173.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 pp -115.74 4.69 14.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.606 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -101.63 13.67 34.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.444 ' C ' ' CG ' ' A' ' 44' ' ' TYR . 42.8 mm-40 38.25 72.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.616 ' N ' HD11 ' A' ' 40' ' ' LEU . 2.1 m-85 67.3 92.15 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -78.26 83.05 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 108.258 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.57 ' HA ' HG21 ' A' ' 62' ' ' THR . 0.2 OUTLIER 179.3 140.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.599 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.456 ' HG3' HG22 ' A' ' 48' ' ' THR . 13.6 ptm180 -121.39 -50.01 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.514 ' O ' HG22 ' A' ' 49' ' ' THR . 2.7 t -178.4 -41.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 48' ' ' THR . 4.3 t 46.23 55.56 7.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 110.467 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.912 HG21 ' CD ' ' A' ' 56' ' ' PRO . 3.2 mt 48.22 76.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.227 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.95 -105.19 1.92 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -177.53 -38.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 0.0 109.357 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.683 ' CD2' ' O ' ' A' ' 53' ' ' PHE . 12.4 p90 -79.09 48.35 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.9 m 65.75 -174.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 165.81 -131.09 2.29 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.581 1.175 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.912 ' CD ' HG21 ' A' ' 50' ' ' ILE . 18.2 Cg_endo -74.96 -67.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.559 ' CE1' ' O ' ' A' ' 59' ' ' TYR . 68.9 t80 55.86 171.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.546 ' CB ' ' O ' ' A' ' 57' ' ' TYR . 0.9 OUTLIER 162.85 -25.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.559 ' O ' ' CE1' ' A' ' 57' ' ' TYR . 21.5 p90 -105.55 152.95 22.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 86.0 m -42.47 148.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.29 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -104.12 172.6 6.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.57 HG21 ' HA ' ' A' ' 46' ' ' HIS . 4.5 t -88.61 130.56 35.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.42 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 t -174.73 164.64 3.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.522 ' O ' HD12 ' A' ' 64' ' ' LEU . 2.0 pp -126.33 119.56 27.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.462 ' OD2' HD12 ' A' ' 67' ' ' ILE . 4.3 p-10 -90.37 -169.36 2.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.232 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' ASP . 49.0 tt0 -37.39 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.978 HG21 ' OD1' ' A' ' 114' ' ' ASN . 4.2 mp -91.05 103.61 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -31.75 -39.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.654 ' HB ' HG22 ' A' ' 67' ' ' ILE . 1.4 m -43.04 94.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' GLY . 8.0 t -82.93 154.73 24.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 108.259 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.593 ' CZ3' HG12 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -126.25 118.38 23.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 108.005 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.97 72.58 4.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.962 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.407 ' HG2' ' N ' ' A' ' 74' ' ' SER . 5.7 tm0? 59.86 146.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.326 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.455 ' OG ' ' CZ2' ' A' ' 109' ' ' TRP . 1.2 m -144.47 172.34 13.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.66 150.89 41.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 147.48 34.22 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.577 1.83 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 38.64 39.04 0.76 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.88 2.08 23.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.408 HD13 ' HB3' ' A' ' 102' ' ' GLU . 0.7 OUTLIER 54.71 98.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.669 ' O ' HG12 ' A' ' 80' ' ' VAL . 53.4 t -95.09 60.72 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.588 ' CG ' ' CD2' ' A' ' 100' ' ' TYR . 0.8 OUTLIER -79.47 144.36 34.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.173 . . . . 0.0 110.245 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.882 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 5.1 ptp180 177.2 150.89 0.37 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.46 ' C ' ' HD3' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -74.94 -160.22 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.549 1.815 . . . . 0.0 110.991 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.602 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -131.45 63.58 70.15 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 108.308 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.46 ' HD3' ' C ' ' A' ' 83' ' ' PRO . 18.2 Cg_endo -75.0 68.41 5.76 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.553 1.817 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.567 ' O ' ' C ' ' A' ' 87' ' ' TYR . 5.6 pt-20 168.01 126.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.567 ' C ' ' O ' ' A' ' 86' ' ' GLU . 31.2 m-85 -21.0 93.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.723 ' CZ ' ' CG2' ' A' ' 91' ' ' ILE . 8.4 p90 -107.13 -0.44 22.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 89' ' ' ASN . 34.0 p30 172.92 53.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.54 -51.03 2.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.723 ' CG2' ' CZ ' ' A' ' 88' ' ' PHE . 0.7 OUTLIER -77.27 129.39 37.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 0.739 . . . . 0.0 109.266 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -78.27 -138.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.421 ' HB3' ' HA ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -112.66 66.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -118.9 -38.56 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.466 ' OG1' ' N ' ' A' ' 96' ' ' THR . 0.2 OUTLIER -74.84 173.55 10.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.419 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 96' ' ' THR . 9.1 t -104.77 51.36 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.362 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.45 ' NH1' ' OG1' ' A' ' 95' ' ' THR . 15.3 mmp_? -78.39 166.82 22.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 110.237 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 -143.47 155.36 44.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 82' ' ' ARG . . . -134.42 174.02 10.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.588 ' CD2' ' CG ' ' A' ' 81' ' ' GLU . 53.8 m-85 -153.34 136.36 15.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.994 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.583 ' HG3' ' CZ2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -140.51 38.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -35.31 126.29 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.605 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 1.0 OUTLIER -90.29 148.9 22.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 108.276 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.4 mp -86.43 150.35 24.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.081 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -77.46 1.65 18.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -96.82 2.69 52.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 79.19 45.2 9.05 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.5 p -134.81 157.13 47.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.741 . . . . 0.0 110.384 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.625 ' HH2' HG11 ' A' ' 80' ' ' VAL . 0.4 OUTLIER -77.82 -169.39 1.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 107.975 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.57 -167.38 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.227 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 p -87.21 -43.02 12.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.986 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -168.59 158.34 9.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.881 HG12 HD13 ' A' ' 67' ' ' ILE . 9.9 p -118.17 166.84 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.978 ' OD1' HG21 ' A' ' 67' ' ' ILE . 16.2 m120 61.85 97.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 4.1 p90 -177.26 -37.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.472 ' O ' ' CG ' ' A' ' 117' ' ' HIS . 0.1 OUTLIER -57.43 -18.9 20.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.472 ' CG ' ' O ' ' A' ' 116' ' ' SER . 1.6 m-70 171.58 41.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.585 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.604 ' SG ' ' CD2' ' A' ' 88' ' ' PHE . 17.1 t -127.19 -58.51 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 108.239 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 1.4 tp10 -54.13 -53.29 60.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.383 1.052 . . . . 0.0 110.258 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.1 Cg_endo -74.99 66.36 6.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.392 1.733 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.752 HD13 ' C ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -97.87 118.58 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.58 ' N ' HD13 ' A' ' 121' ' ' ILE . 0.5 OUTLIER -40.56 104.74 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.288 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -170.47 62.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.04 173.39 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 126' ' ' GLN . 0.0 OUTLIER -147.16 51.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 125' ' ' LYS . 0.7 OUTLIER 37.72 56.15 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.37 164.97 0.43 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.531 1.145 . . . . 0.0 110.361 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.82 -58.54 2.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.23 176.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.72 116.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 12.2 tp -173.81 134.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 53.59 172.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.637 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 52.1 t80 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.951 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 m 62.84 150.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 0.743 . . . . 0.0 109.999 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 18' ' ' MET . . . -96.88 -90.66 1.85 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' GLY . 19.3 mmm 37.81 77.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 111.041 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.43 130.07 3.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.539 ' OE2' ' HB2' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -76.91 147.07 37.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.6 p -109.99 -44.29 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.389 1.055 . . . . 0.0 110.331 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -158.76 -64.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.539 ' HB2' ' OE2' ' A' ' 20' ' ' GLU . . . 69.84 165.98 0.28 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.077 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.12 176.55 8.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.94 135.72 20.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.439 ' O ' ' CB ' ' A' ' 27' ' ' GLU . 19.3 p90 -176.76 167.23 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 111.023 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 0.6 OUTLIER 82.24 172.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? 65.16 86.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -110.79 -55.31 2.5 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 110.345 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.3 148.84 0.19 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.62 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -162.95 127.21 2.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.446 1.092 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -170.26 166.98 8.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -136.97 157.31 74.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.456 1.766 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.63 135.94 51.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.96 -71.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 38' ' ' THR . . . 48.44 91.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 37' ' ' GLY . 67.6 p 37.38 -155.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.761 . . . . 0.0 110.424 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 39' ' ' THR . 1.2 m -80.47 67.4 6.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 40' ' ' LEU . 1.1 mt 58.59 -147.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.236 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.479 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.9 pp -103.67 29.17 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 44' ' ' TYR . 2.9 mp0 45.84 60.14 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -38.68 97.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.429 ' N ' ' O ' ' A' ' 42' ' ' GLU . 0.7 OUTLIER 179.5 142.74 0.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 68.33 102.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 108.308 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -69.81 149.41 47.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.496 ' C ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -101.06 -30.12 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.496 HG22 ' C ' ' A' ' 47' ' ' ARG . 2.1 t 44.91 45.75 8.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 50' ' ' ILE . 12.8 t -61.66 -155.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.42 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.418 ' N ' ' OG1' ' A' ' 49' ' ' THR . 1.8 tt -39.34 136.84 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 39.78 -105.8 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.544 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 34.7 m-80 -105.1 -64.38 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 109.212 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -163.39 138.39 6.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.82 -55.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.69 97.56 0.05 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.445 1.09 . . . . 0.0 110.977 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -64.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.055 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -99.22 179.88 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.2 m -96.77 105.38 17.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.402 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.473 ' CB ' ' HD3' ' A' ' 76' ' ' PRO . 10.3 p90 -121.94 170.95 9.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HB2' ' CA ' ' A' ' 74' ' ' SER . 8.6 m -40.39 146.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 108.296 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -112.28 171.04 7.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 8.8 t -88.2 129.72 35.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 110.38 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -171.5 158.9 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.364 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 pp -100.58 147.14 26.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' OD2' ' NH1' ' A' ' 101' ' ' ARG . 1.5 t70 -105.52 -152.85 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.397 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.47 -7.18 59.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.766 HD12 ' CG1' ' A' ' 113' ' ' VAL . 3.6 mt -104.13 37.6 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.347 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 31.9 45.87 0.19 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.432 ' O ' ' CG2' ' A' ' 69' ' ' THR . 5.2 t -124.68 114.92 19.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.28 104.25 14.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.556 1.16 . . . . 0.0 108.303 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.55 ' CZ3' HG12 ' A' ' 80' ' ' VAL . 67.6 m95 -79.23 128.63 75.13 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 107.992 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.01 74.9 3.86 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 62' ' ' THR . 4.7 mt-30 54.2 167.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.49 ' OG ' ' CZ2' ' A' ' 109' ' ' TRP . 1.7 m -169.2 174.65 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.28 147.49 33.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 59' ' ' TYR . 18.4 Cg_endo -75.01 154.16 42.24 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.431 1.753 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 52.77 19.47 6.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.155 . . . . 0.0 111.059 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.04 -154.62 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 0.782 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.02 96.53 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.612 HG21 ' CH2' ' A' ' 109' ' ' TRP . 2.3 t -90.35 62.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 99' ' ' ALA . 0.4 OUTLIER -95.16 140.79 29.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.449 ' H ' ' HB3' ' A' ' 99' ' ' ALA . 69.4 mtt-85 -134.44 62.03 52.83 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.501 ' HB3' ' CB ' ' A' ' 98' ' ' ASN . 18.3 Cg_endo -75.02 166.52 29.01 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.571 1.827 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.683 ' SG ' HG21 ' A' ' 96' ' ' THR . 1.7 p -126.92 98.88 29.9 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 108.274 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -171.25 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.498 ' HA ' ' HA ' ' A' ' 92' ' ' LYS . 19.0 pt-20 -41.06 153.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.456 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 34.0 t80 43.87 82.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.622 ' CE1' ' O ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -122.54 -2.49 8.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 88' ' ' PHE . 8.8 p30 155.15 -22.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -147.07 -108.97 0.55 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.161 . . . . 0.0 110.958 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.622 ' O ' ' CE1' ' A' ' 88' ' ' PHE . 1.4 tp -78.91 -179.71 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 0.727 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 86' ' ' GLU . 3.6 ptpt -78.55 -173.31 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.605 ' O ' ' CG ' ' A' ' 93' ' ' TYR . 19.5 p90 -88.64 114.83 25.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.1 -42.16 2.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.32 61.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.379 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.683 HG21 ' SG ' ' A' ' 84' ' ' CYS . 9.9 t -89.58 20.38 4.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.482 ' O ' ' C ' ' A' ' 98' ' ' ASN . 3.3 mpt_? 48.6 62.45 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.349 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.501 ' CB ' ' HB3' ' A' ' 83' ' ' PRO . 0.4 OUTLIER -34.16 145.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.238 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.63 ' HB1' ' O ' ' A' ' 114' ' ' ASN . . . -92.47 147.93 22.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 35.3 p90 177.03 130.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.613 ' HG2' ' HB3' ' A' ' 110' ' ' ALA . 0.0 OUTLIER -140.26 66.59 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.248 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' ARG . 1.1 pm0 -37.25 122.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -86.27 121.77 29.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 108.298 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.3 mt -56.89 163.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.86 0.7 17.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.08 -2.68 42.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.94 36.86 17.45 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.403 ' O ' ' SG ' ' A' ' 103' ' ' CYS . 26.0 p -120.72 168.0 11.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 110.417 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.612 ' CH2' HG21 ' A' ' 80' ' ' VAL . 76.0 m95 -89.19 -172.03 3.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 108.049 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.613 ' HB3' ' HG2' ' A' ' 101' ' ' ARG . . . -99.39 -141.95 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.0 -46.19 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 110.001 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.48 117.05 32.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.766 ' CG1' HD12 ' A' ' 67' ' ' ILE . 10.9 p -114.78 163.42 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.63 ' O ' ' HB1' ' A' ' 99' ' ' ALA . 13.8 m-20 -158.43 172.33 18.53 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.627 ' CD1' ' O ' ' A' ' 114' ' ' ASN . 0.0 OUTLIER -164.83 -70.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.9 p -68.97 -99.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.947 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 2.3 m170 48.57 23.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.594 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.4 ' O ' HG22 ' A' ' 121' ' ' ILE . 0.1 OUTLIER -116.3 -38.89 3.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 108.304 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.535 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -45.61 -49.3 36.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.592 1.182 . . . . 0.0 110.327 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.1 Cg_endo -75.08 52.07 2.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.573 1.828 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.584 HG21 ' CE1' ' A' ' 88' ' ' PHE . 0.4 OUTLIER -136.21 -175.73 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.666 HD12 ' H ' ' A' ' 124' ' ' ASP . 0.2 OUTLIER 55.3 -179.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -179.29 38.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.666 ' H ' HD12 ' A' ' 122' ' ' LEU . 25.1 t0 178.11 164.28 0.69 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.74 131.43 34.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.52 124.11 26.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.97 144.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.66 153.96 33.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -63.46 166.25 6.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -151.28 166.0 32.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 70.45 124.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -162.49 93.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.435 1.084 . . . . 0.0 111.059 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -131.84 174.86 9.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 0.795 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.42 129.48 2.47 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -178.91 174.93 1.06 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.442 0.731 . . . . 0.0 110.978 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt 67.15 -73.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' MET . 0.9 OUTLIER 63.91 173.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.594 1.184 . . . . 0.0 110.305 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.0 t -164.94 153.24 11.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.28 -54.2 1.03 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.57 1.169 . . . . 0.0 109.273 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 62.52 135.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.451 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -152.85 -179.8 7.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 tptp -40.69 103.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 23.8 m-85 -103.24 174.77 5.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 8.0 pt-20 47.53 -174.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 53.59 20.55 2.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.77 -73.58 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.177 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 175.86 106.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.602 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 14.6 ptt? -146.6 26.77 1.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.1 t0 54.21 171.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 m -41.62 151.77 0.3 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.441 1.758 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -68.3 154.99 40.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.25 -79.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.6 165.18 30.61 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 t -171.66 39.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 110.383 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 t -129.08 32.89 4.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.84 162.63 39.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.16 10.52 39.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 42' ' ' GLU . 1.5 tm-20 -120.25 15.63 12.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -69.25 -55.61 10.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CE1' ' HB3' ' A' ' 70' ' ' CYS . 25.3 p90 -82.39 48.1 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.462 ' O ' ' ND1' ' A' ' 46' ' ' HIS . 12.4 m -140.04 -69.78 0.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 108.324 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' A' ' 45' ' ' CYS . 0.2 OUTLIER 40.65 27.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.662 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.822 ' O ' HG23 ' A' ' 49' ' ' THR . 1.5 mpt_? -115.28 -87.07 0.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 48' ' ' THR . 1.3 t 39.35 33.56 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.427 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 47' ' ' ARG . 4.8 p -99.46 -177.51 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.5 OUTLIER 38.86 90.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.24 -70.44 0.15 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.435 1.085 . . . . 0.0 111.046 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.1 m-20 -112.22 -14.19 13.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -178.16 151.92 0.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.12 73.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.403 ' C ' ' HA ' ' A' ' 50' ' ' ILE . . . 127.89 147.88 6.68 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.438 ' O ' ' HB2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.07 -92.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.772 ' OH ' HG22 ' A' ' 108' ' ' THR . 0.4 OUTLIER 177.39 -144.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 58' ' ' THR . 54.1 m 63.08 33.42 14.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.554 ' CD1' ' HA ' ' A' ' 75' ' ' ALA . 87.5 t80 -172.65 143.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' SER . 4.5 m -74.85 131.23 40.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 108.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 49' ' ' THR . 15.8 t-20 -113.9 164.25 14.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.465 ' CG2' ' SG ' ' A' ' 70' ' ' CYS . 71.8 m -69.62 118.26 12.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 110.372 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.67 158.46 44.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.178 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 pp -129.83 118.52 21.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.442 1.088 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -93.01 -152.94 0.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.605 1.191 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -47.64 -23.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.536 ' CG2' ' HB ' ' A' ' 69' ' ' THR . 3.2 mm -96.08 104.06 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -34.13 -49.21 0.62 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.536 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -38.77 112.0 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 0.738 . . . . 0.0 110.394 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.495 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -89.38 122.96 33.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.83 ' CZ2' HG21 ' A' ' 113' ' ' VAL . 58.0 m95 -92.46 141.9 25.3 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 108.017 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 71' ' ' TRP . 18.3 Cg_endo -75.05 149.94 37.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.57 1.826 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.453 ' N ' ' OG1' ' A' ' 62' ' ' THR . 0.0 OUTLIER -49.87 163.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.322 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.53 ' O ' ' CE1' ' A' ' 59' ' ' TYR . 16.6 m -165.92 -174.49 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -101.41 168.72 8.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.597 1.186 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.604 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.1 Cg_endo -75.06 147.27 33.48 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.0 29.82 76.39 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.444 1.09 . . . . 0.0 111.09 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.75 -148.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 0.727 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.734 HD12 ' HG2' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -171.76 83.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.613 1.196 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.72 ' O ' HG12 ' A' ' 80' ' ' VAL . 43.9 t -100.3 60.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.734 ' HG2' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -95.61 134.42 38.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 13.9 ptp180 -156.75 62.58 2.87 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.34 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 84' ' ' CYS . 18.3 Cg_endo -74.91 141.59 27.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.487 ' CA ' ' HB3' ' A' ' 98' ' ' ASN . 0.8 OUTLIER -38.24 98.87 0.18 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.155 . . . . 0.0 108.304 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.517 ' O ' ' O ' ' A' ' 86' ' ' GLU . 18.4 Cg_endo -74.9 16.3 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.582 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -37.53 163.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.47 ' O ' ' O ' ' A' ' 89' ' ' ASN . 6.1 p90 -71.88 -27.08 62.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CD2' HD11 ' A' ' 121' ' ' ILE . 0.3 OUTLIER -42.65 -26.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.493 ' ND2' ' CE1' ' A' ' 88' ' ' PHE . 28.7 p30 -106.62 -167.06 1.24 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -95.89 55.63 1.6 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.651 HD13 ' H ' ' A' ' 92' ' ' LYS . 0.3 OUTLIER -168.79 142.95 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 0.78 . . . . 0.0 109.256 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.651 ' H ' HD13 ' A' ' 91' ' ' ILE . 7.1 mttt -81.85 148.43 28.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.472 ' HB3' ' C ' ' A' ' 85' ' ' PRO . 48.9 p90 -108.46 147.21 31.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -119.24 -39.09 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.6 p -108.71 -167.22 1.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.8 t -121.9 -39.87 2.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.9 mtt85 -56.98 114.65 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.568 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 0.3 OUTLIER -115.99 125.97 53.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.705 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . 172.12 111.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.229 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.719 ' CE2' ' CE2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -101.46 140.55 35.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 111.095 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.68 ' HG3' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -148.67 123.04 9.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -95.93 153.67 17.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 108' ' ' THR . 0.1 OUTLIER -111.83 122.08 46.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 108.302 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 mt -62.96 177.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.355 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.88 1.5 46.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.634 1.209 . . . . 0.0 110.231 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.52 -0.12 43.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.421 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 80.79 35.79 24.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.772 HG22 ' OH ' ' A' ' 57' ' ' TYR . 66.2 p -118.5 168.29 10.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 0.781 . . . . 0.0 110.452 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.605 ' HH2' HG21 ' A' ' 80' ' ' VAL . 21.2 m95 -91.36 -173.54 3.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 108.011 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.55 -168.5 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 m -84.12 -59.98 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.981 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.591 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -136.89 131.33 32.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.83 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 3.0 p -81.32 -176.05 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.726 ' H ' HG22 ' A' ' 113' ' ' VAL . 1.8 t-20 83.23 -64.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.719 ' CE2' ' CE2' ' A' ' 100' ' ' TYR . 46.8 m-85 55.97 116.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 84.8 p -77.33 1.37 19.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.476 ' O ' ' N ' ' A' ' 119' ' ' GLU . 50.8 m-70 -91.48 24.92 2.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.534 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.476 ' SG ' ' N ' ' A' ' 84' ' ' CYS . 2.7 t -67.86 70.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 108.269 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 117' ' ' HIS . 2.1 mm-40 57.51 92.43 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.59 1.181 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.52 ' HB2' HD23 ' A' ' 122' ' ' LEU . 18.5 Cg_endo -75.03 131.71 14.57 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.593 HD11 ' CD2' ' A' ' 88' ' ' PHE . 42.5 mm -54.76 92.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.885 ' O ' HD12 ' A' ' 122' ' ' LEU . 3.9 pp -175.15 43.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -98.22 -171.16 2.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 60.57 156.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.87 162.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.75 177.62 6.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.15 139.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -112.06 167.59 10.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.11 174.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.4 t0 178.95 167.9 0.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 70.08 178.56 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.65 133.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.57 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -141.79 153.69 44.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 0.781 . . . . 0.0 110.021 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.8 -173.68 38.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.6 mtm -141.0 127.06 19.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.72 66.67 9.57 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -75.49 171.22 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 m -152.83 80.72 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.08 57.32 2.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -170.51 174.4 5.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 63.3 137.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.08 175.98 3.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -110.45 167.91 9.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -134.8 129.37 34.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 110.309 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 45.29 78.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -119.26 -45.48 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -171.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.614 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -171.54 33.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.08 22.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 m -146.54 154.41 48.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.944 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.483 1.781 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -41.8 136.92 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tp -98.42 58.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.357 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.601 ' O ' HG22 ' A' ' 38' ' ' THR . . . -73.46 81.18 0.73 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 37' ' ' GLY . 9.5 t 47.17 -172.54 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.511 0.771 . . . . 0.0 110.355 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.436 ' N ' ' OG1' ' A' ' 38' ' ' THR . 2.9 m -87.18 93.15 9.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.435 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.695 HD21 ' OE1' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -44.52 149.54 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.504 ' O ' HD23 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -97.56 11.05 38.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' GLN . 3.9 tt0 -119.71 24.25 10.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.695 ' OE1' HD21 ' A' ' 40' ' ' LEU . 1.7 tp-100 -38.7 -73.12 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 110.261 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -94.68 169.9 9.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.1 m 63.34 127.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.269 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -169.38 115.48 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.171 . . . . 0.0 109.552 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.608 ' O ' HG22 ' A' ' 48' ' ' THR . 16.0 ptm180 -109.49 2.41 20.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.367 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 47' ' ' ARG . 6.2 t 47.91 50.64 15.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.413 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.3 p 38.6 -155.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 50' ' ' ILE . 4.1 mm -85.39 -63.26 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' ' N ' ' A' ' 53' ' ' PHE . . . -174.11 -174.88 41.3 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.553 1.158 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.5 m120 44.55 27.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 0.81 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.485 ' O ' ' CB ' ' A' ' 54' ' ' SER . 21.0 m-85 44.86 93.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 53' ' ' PHE . 0.8 OUTLIER 85.06 49.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.566 1.166 . . . . 0.0 109.933 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.34 -131.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 111.095 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.586 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 18.0 Cg_endo -75.03 -81.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.667 ' CD1' ' N ' ' A' ' 58' ' ' THR . 0.1 OUTLIER 45.87 178.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.667 ' N ' ' CD1' ' A' ' 57' ' ' TYR . 0.8 OUTLIER 162.44 -22.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.437 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.468 ' O ' ' C ' ' A' ' 60' ' ' CYS . 18.1 p90 -76.73 171.2 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 59' ' ' TYR . 15.1 m -36.74 133.89 0.53 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 108.264 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.508 ' ND2' ' H ' ' A' ' 62' ' ' THR . 3.9 t30 -101.03 -173.25 2.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.071 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.508 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 10.9 t -97.94 136.0 38.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 t -176.38 158.92 1.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.182 . . . . 0.0 110.444 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 41' ' ' LEU . 1.2 pp -110.25 175.51 5.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD2' ' NH2' ' A' ' 101' ' ' ARG . 2.2 t0 -121.57 -160.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -84.95 1.02 49.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 69' ' ' THR . 0.8 OUTLIER -115.55 38.34 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 35.47 49.35 0.94 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -114.25 85.55 2.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 110.413 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.0 t -72.19 118.46 15.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.278 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.765 ' CE3' HG11 ' A' ' 80' ' ' VAL . 54.0 m95 -111.43 121.18 40.91 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 108.042 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.1 Cg_endo -75.02 154.02 42.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.479 ' HG3' ' CD ' ' A' ' 47' ' ' ARG . 4.1 mt-30 -37.62 150.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.392 1.058 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -158.07 170.42 22.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.021 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.405 ' O ' ' SG ' ' A' ' 60' ' ' CYS . . . -78.2 154.56 79.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' A' ' 59' ' ' TYR . 18.2 Cg_endo -75.0 149.43 36.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.64 21.06 78.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.146 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.55 -161.62 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.66 107.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.377 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.765 HG11 ' CE3' ' A' ' 71' ' ' TRP . 49.0 t -86.15 53.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.506 ' O ' ' CG ' ' A' ' 82' ' ' ARG . 6.2 mt-10 -78.73 146.37 33.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.59 ' NH2' HG13 ' A' ' 80' ' ' VAL . 24.5 mtt-85 -161.94 120.76 1.42 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.399 1.062 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.682 ' HD2' HG21 ' A' ' 95' ' ' THR . 18.2 Cg_endo -74.95 160.31 40.46 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.508 ' O ' ' CD2' ' A' ' 93' ' ' TYR . 2.7 m -57.28 148.18 54.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 108.337 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 178.55 7.09 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.801 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -78.24 125.42 29.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.05 -50.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.642 ' CD1' ' N ' ' A' ' 89' ' ' ASN . 30.0 p90 -100.3 -40.23 7.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.642 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 15.9 p30 -88.51 161.92 16.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -89.88 44.24 2.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.117 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.737 HG21 ' CD2' ' A' ' 93' ' ' TYR . 0.8 OUTLIER -107.07 -170.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.423 ' N ' HG23 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -141.94 65.45 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.737 ' CD2' HG21 ' A' ' 91' ' ' ILE . 5.8 m-85 -85.15 144.85 27.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -105.07 -25.84 12.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.682 HG21 ' HD2' ' A' ' 83' ' ' PRO . 2.5 p -40.66 131.7 2.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.43 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 67.3 p -45.84 -61.06 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.476 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -149.91 170.23 19.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.082 . . . . 0.0 110.372 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.585 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 8.6 p30 -62.19 161.36 11.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.568 ' HA ' ' CD1' ' A' ' 115' ' ' TYR . . . 174.67 -177.32 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.338 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.435 ' CB ' ' O ' ' A' ' 99' ' ' ALA . 0.1 OUTLIER 166.93 59.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.63 ' HG3' HG22 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -96.22 169.83 9.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.241 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -131.87 153.0 50.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.363 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.58 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -117.72 128.98 55.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.318 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.55 ' HB2' HG23 ' A' ' 108' ' ' THR . 6.6 mt -70.18 163.92 25.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.429 1.081 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -80.83 1.39 30.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.233 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.57 -0.43 45.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.76 53.91 3.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.55 HG23 ' HB2' ' A' ' 104' ' ' LEU . 0.6 OUTLIER -146.3 175.05 10.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.341 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.58 ' CZ3' ' SG ' ' A' ' 103' ' ' CYS . 89.4 m95 -108.64 -171.2 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 108.001 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.06 179.36 4.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.343 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.1 m -58.49 -50.37 73.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.092 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -160.42 155.82 25.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.428 1.08 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.63 HG22 ' HG3' ' A' ' 101' ' ' ARG . 2.5 t -67.35 142.92 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -50.0 -59.9 3.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 98' ' ' ASN . 0.4 OUTLIER 35.25 43.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.34 -0.46 8.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 119' ' ' GLU . 7.8 m80 -139.49 51.96 1.74 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.576 1.173 . . . . 0.0 109.628 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.418 ' C ' ' SG ' ' A' ' 84' ' ' CYS . 40.4 t -69.55 67.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 108.278 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 117' ' ' HIS . 39.3 mm-40 50.62 84.15 0.21 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 121' ' ' ILE . 18.1 Cg_endo -75.08 60.42 5.5 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.433 1.754 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.706 HG22 ' O ' ' A' ' 121' ' ' ILE . 3.9 mm 39.28 82.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.136 . . . . 0.0 109.367 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.5 tp -143.44 108.86 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -173.07 66.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.432 1.082 . . . . 0.0 109.26 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -170.62 167.38 7.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -151.05 72.61 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -95.51 112.73 24.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -178.17 161.54 1.49 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.437 1.086 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.23 110.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.243 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 129' ' ' TYR . 17.1 p90 -154.51 141.59 19.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 176.75 165.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.2 tp -165.79 115.02 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -165.99 173.12 10.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.597 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 4.9 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 111.019 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.7 t 65.83 100.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 0.736 . . . . 0.0 110.007 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -111.92 -157.76 14.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.42 170.87 15.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 0.804 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.59 145.95 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.14 143.45 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.3 t -172.74 149.6 2.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -160.5 163.4 32.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . -165.29 158.61 16.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.357 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 23' ' ' ALA . . . -179.44 153.23 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.05 172.95 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -118.34 174.23 6.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.81 153.51 45.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -123.48 168.28 12.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -93.31 -55.64 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 56.81 164.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.65 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 tpt -177.79 159.2 1.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.404 1.065 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.05 163.28 9.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.417 1.073 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.38 160.19 27.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.953 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.452 1.764 . . . . 0.0 111.06 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.47 132.39 56.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mt -138.13 66.19 1.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.34 52.4 36.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.478 ' HB ' ' CD1' ' A' ' 41' ' ' LEU . 7.5 m -68.7 -134.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.786 . . . . 0.0 110.404 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.428 ' H ' HG22 ' A' ' 38' ' ' THR . 24.9 m -71.52 103.48 2.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.448 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 mp 61.16 -109.23 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.478 ' CD1' ' HB ' ' A' ' 38' ' ' THR . 0.7 OUTLIER 54.53 18.19 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 3.8 tt0 76.47 33.09 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.528 ' HG3' ' CD1' ' A' ' 44' ' ' TYR . 2.7 pt20 -46.54 172.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.528 ' CD1' ' HG3' ' A' ' 43' ' ' GLN . 2.4 p90 -37.23 118.85 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' HIS . 20.1 m -134.03 -58.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 108.243 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.518 ' CE1' ' HG1' ' A' ' 62' ' ' THR . 0.1 OUTLIER -43.73 165.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.557 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.418 ' O ' ' HB ' ' A' ' 48' ' ' THR . 7.3 ptm180 -120.34 -47.86 2.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.449 ' C ' HG23 ' A' ' 49' ' ' THR . 0.4 OUTLIER 177.37 -38.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.351 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.776 ' O ' HG22 ' A' ' 50' ' ' ILE . 2.2 p 57.72 110.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.428 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.799 HG21 ' HA3' ' A' ' 55' ' ' GLY . 8.6 tt 52.91 172.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.64 50.16 4.36 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.545 1.153 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.1 t30 179.3 142.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.358 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -58.08 126.77 28.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m 50.63 75.03 0.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.585 1.178 . . . . 0.0 109.945 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.799 ' HA3' HG21 ' A' ' 50' ' ' ILE . . . -70.92 -150.81 0.71 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.585 ' HD3' HD13 ' A' ' 50' ' ' ILE . 18.6 Cg_endo -74.97 -91.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.542 1.811 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.489 ' HA ' ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER 175.32 -143.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 111.027 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 58' ' ' THR . 53.2 m 67.91 11.21 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.501 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 7.9 p90 -130.76 146.56 52.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' SER . 5.8 m -50.26 131.35 23.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -105.65 165.29 11.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.518 ' HG1' ' CE1' ' A' ' 46' ' ' HIS . 52.4 m -64.75 119.96 11.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.0 m -143.61 136.09 27.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -146.77 165.27 30.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.642 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -169.42 -160.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' ASP . 1.6 mm-40 -36.59 -54.26 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.572 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -133.85 59.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.615 ' O ' ' CD1' ' A' ' 71' ' ' TRP . . . -99.08 -2.99 56.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.726 ' CG2' ' CZ2' ' A' ' 71' ' ' TRP . 3.0 t 38.49 28.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 68' ' ' GLY . 0.6 OUTLIER 50.02 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 108.272 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.726 ' CZ2' ' CG2' ' A' ' 69' ' ' THR . 88.4 m95 -98.61 110.5 57.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 108.0 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.1 Cg_endo -74.98 148.81 35.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.585 ' HG2' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -39.0 159.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' CYS . 1.1 m -164.75 -174.77 3.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.04 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.65 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -100.73 169.31 8.02 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.65 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -74.99 154.65 42.71 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.435 1.755 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 60.8 47.56 90.59 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.568 1.168 . . . . 0.0 111.12 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -126.86 125.05 40.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.08 85.72 7.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.737 ' O ' HG12 ' A' ' 80' ' ' VAL . 41.2 t -75.26 59.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -91.69 141.82 28.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -129.76 68.69 80.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 103.03 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.9 m 60.28 156.29 0.1 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.279 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.456 ' HG3' ' CB ' ' A' ' 95' ' ' THR . 18.4 Cg_endo -75.03 -91.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.808 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.59 ' OE2' ' CD1' ' A' ' 88' ' ' PHE . 7.1 tt0 -40.44 162.65 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.583 1.177 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.51 ' O ' ' C ' ' A' ' 88' ' ' PHE . 1.4 t80 -95.27 -53.1 3.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.608 ' CG ' ' N ' ' A' ' 89' ' ' ASN . 2.6 p90 -27.96 -44.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.812 ' OD1' HD11 ' A' ' 121' ' ' ILE . 3.3 t-20 -154.24 -68.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.088 . . . . 0.0 109.208 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.436 ' O ' ' HD2' ' A' ' 85' ' ' PRO . . . 159.0 -51.51 0.39 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.614 HG23 ' O ' ' A' ' 91' ' ' ILE . 10.5 tp -75.44 86.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 0.747 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 0.0 OUTLIER 179.18 38.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.44 ' HB2' ' HG2' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -170.29 168.92 7.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 93' ' ' TYR . 0.7 OUTLIER -52.06 -99.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.456 ' CB ' ' HG3' ' A' ' 85' ' ' PRO . 6.2 m 61.06 116.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.407 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.0 m -81.33 -32.75 32.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.368 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 179.89 131.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.234 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.528 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 1.3 m-80 -64.25 179.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.674 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . 173.64 170.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 99' ' ' ALA . 22.9 m-85 -143.23 139.42 30.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -136.01 127.52 28.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -110.65 145.92 37.11 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.3 OUTLIER -120.74 112.91 19.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.3 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.2 mt -56.88 178.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -83.39 1.39 41.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.83 1.63 40.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.58 23.02 61.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.0 p -105.4 151.37 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.466 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.669 ' HH2' HG21 ' A' ' 80' ' ' VAL . 10.6 m95 -75.07 -171.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.93 -151.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.2 p -85.35 -71.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.93 150.31 49.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.674 HG22 ' HB1' ' A' ' 99' ' ' ALA . 9.3 p -107.71 109.27 27.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.571 ' O ' ' CG ' ' A' ' 115' ' ' TYR . 4.3 p-10 175.91 119.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.571 ' CG ' ' O ' ' A' ' 114' ' ' ASN . 84.1 m-85 -165.59 115.12 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 111.051 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.4 ' C ' ' N ' ' A' ' 118' ' ' CYS . 15.8 m -76.06 -98.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 54.7 15.59 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.546 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.4 ' N ' ' C ' ' A' ' 116' ' ' SER . 13.2 t -122.01 -43.95 2.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 108.287 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.552 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 0.7 OUTLIER -46.65 -48.61 48.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.352 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.3 Cg_endo -74.98 57.72 4.65 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 111.048 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.812 HD11 ' OD1' ' A' ' 89' ' ' ASN . 4.5 tt -96.38 53.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 121' ' ' ILE . 0.3 OUTLIER 38.87 47.29 1.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.1 t70 178.52 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -176.4 169.13 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.364 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.74 126.91 45.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.15 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -45.97 168.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -134.14 55.72 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.5 pttt 41.71 81.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -115.08 139.06 50.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 171.27 161.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.39 113.38 1.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.484 ' O ' ' C ' ' A' ' 133' ' ' TYR . 0.3 OUTLIER 179.9 128.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.0 109.631 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.484 ' C ' ' O ' ' A' ' 132' ' ' HIS . 4.1 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -179.69 -60.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 109.989 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 45.48 -128.65 8.79 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.066 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.0 mtt 57.6 81.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 111.076 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.57 136.66 1.68 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.544 1.153 . . . . 0.0 109.351 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.515 ' O ' ' C ' ' A' ' 21' ' ' THR . 1.7 pt-20 -171.55 169.45 6.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.634 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER 29.01 -96.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 110.362 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 21' ' ' THR . . . 80.28 -61.7 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -178.98 175.95 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -174.07 79.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.29 179.06 7.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -86.32 172.82 10.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.118 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.77 130.32 39.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.6 141.76 47.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.11 -75.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.235 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 70.54 61.79 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.588 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.4 ' O ' ' CG ' ' A' ' 31' ' ' MET . 1.5 ptt? -179.23 113.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.61 99.8 9.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.234 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 m 60.23 149.73 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.041 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -162.24 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.435 1.755 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.44 122.05 15.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.91 99.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.44 52.5 0.53 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.8 p 43.98 -166.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.431 HG22 ' HA ' ' A' ' 42' ' ' GLU . 7.0 m -127.29 48.54 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 42' ' ' GLU . 1.2 pp -45.05 111.98 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER 40.25 32.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.431 ' HA ' HG22 ' A' ' 39' ' ' THR . 3.3 pm0 37.56 56.75 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.341 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.45 ' OE1' ' N ' ' A' ' 43' ' ' GLN . 20.2 pm0 -40.34 -28.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -179.3 -54.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.986 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 73.53 61.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 108.324 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.529 ' CD2' ' C ' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -139.21 91.34 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.59 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.439 ' C ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -46.59 -74.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -159.67 -59.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.425 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.728 HG23 ' O ' ' A' ' 49' ' ' THR . 5.5 t 34.25 50.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.738 HD13 ' HD3' ' A' ' 56' ' ' PRO . 0.8 OUTLIER 57.02 164.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.46 -119.98 4.17 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.481 1.113 . . . . 0.0 111.058 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.7 OUTLIER 54.36 22.62 3.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.461 0.742 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.498 ' O ' ' CB ' ' A' ' 54' ' ' SER . 1.2 m-85 42.69 47.69 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 53' ' ' PHE . 0.4 OUTLIER 159.91 -57.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.47 ' HA2' ' CG2' ' A' ' 50' ' ' ILE . . . 106.95 171.56 22.52 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.56 1.163 . . . . 0.0 111.07 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.738 ' HD3' HD13 ' A' ' 50' ' ' ILE . 18.3 Cg_endo -75.06 -69.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 110.941 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.454 ' CG ' ' N ' ' A' ' 58' ' ' THR . 85.4 t80 -50.11 175.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 58' ' ' THR . 22.2 m -103.72 57.97 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CD2' ' O ' ' A' ' 74' ' ' SER . 0.8 OUTLIER -80.78 169.47 17.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.0 m -81.96 153.87 26.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 108.266 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -102.08 170.1 8.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.23 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.9 t -95.56 141.82 28.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -173.11 158.89 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.361 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 pp -96.15 162.58 13.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -110.58 -157.63 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.0 -10.97 59.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.321 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 68' ' ' GLY . 5.6 pt -101.69 38.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.341 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 33.23 45.64 0.3 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.546 1.154 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.42 ' O ' ' CD1' ' A' ' 71' ' ' TRP . 60.8 m -119.19 109.41 15.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.53 122.69 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 108.354 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.538 ' CZ3' HG12 ' A' ' 80' ' ' VAL . 60.8 m95 -103.96 122.9 42.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -75.05 143.28 28.7 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.444 1.76 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.494 HE22 ' HA ' ' A' ' 46' ' ' HIS . 1.0 OUTLIER -38.06 152.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.584 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 11.4 m -151.28 -170.93 3.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . . . -95.27 156.22 37.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.87 42.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 111.036 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.02 50.81 61.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.859 ' O ' HD22 ' A' ' 79' ' ' LEU . . . -121.36 -164.15 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 0.75 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.859 HD22 ' O ' ' A' ' 78' ' ' ALA . 1.7 mm? -140.31 100.46 3.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.652 HG21 ' HH2' ' A' ' 109' ' ' TRP . 58.2 t -101.24 53.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.455 ' CB ' ' HA ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -98.57 130.74 45.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.356 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 99' ' ' ALA . 4.3 mmt180 -102.83 117.48 60.54 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 149.3 36.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 81.3 m -50.29 160.06 0.76 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 108.305 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.58 ' O ' ' CB ' ' A' ' 86' ' ' GLU . 18.5 Cg_endo -74.99 -11.76 21.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.404 1.739 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.58 ' CB ' ' O ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER 93.11 -165.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.244 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.468 ' CG ' ' O ' ' A' ' 87' ' ' TYR . 13.6 t80 42.56 25.84 0.05 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.461 1.1 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.605 ' CG ' ' N ' ' A' ' 89' ' ' ASN . 1.4 t80 -108.29 -74.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.605 ' N ' ' CG ' ' A' ' 88' ' ' PHE . 2.9 m-80 30.3 60.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.481 ' C ' ' CE1' ' A' ' 88' ' ' PHE . . . 143.13 -67.26 0.45 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.414 ' HB ' ' O ' ' A' ' 90' ' ' GLY . 1.4 tp 173.89 100.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 0.747 . . . . 0.0 109.307 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.27 37.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.445 ' O ' ' O ' ' A' ' 94' ' ' ASN . 8.4 p90 -96.64 162.81 13.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.565 ' ND2' ' HB2' ' A' ' 97' ' ' ARG . 0.2 OUTLIER -38.39 -91.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.5 t -168.9 -42.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.2 m -135.02 81.18 1.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.4 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.586 ' O ' ' O ' ' A' ' 98' ' ' ASN . 0.0 OUTLIER -143.04 -164.82 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 110.325 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.744 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 11.3 p30 53.36 154.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.82 ' HB1' HG21 ' A' ' 113' ' ' VAL . . . 158.55 168.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.367 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.604 ' H ' HG22 ' A' ' 113' ' ' VAL . 46.1 m-85 -148.76 106.12 3.64 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.476 ' HG3' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -135.09 126.79 29.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.241 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.37 157.19 21.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.7 125.99 53.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.585 1.178 . . . . 0.0 108.255 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.1 162.64 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.76 1.44 20.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -98.93 -0.17 42.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.37 40.03 14.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.409 1.068 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.8 p -127.8 163.63 23.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 0.786 . . . . 0.0 110.369 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.652 ' HH2' HG21 ' A' ' 80' ' ' VAL . 35.6 m95 -91.75 -172.44 3.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.35 -174.88 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.357 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.74 -42.65 73.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.958 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 175.56 127.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.82 HG21 ' HB1' ' A' ' 99' ' ' ALA . 2.4 p -40.6 158.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.5 ' C ' ' CD2' ' A' ' 115' ' ' TYR . 4.5 p30 -158.35 172.0 19.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.5 ' CD2' ' C ' ' A' ' 114' ' ' ASN . 2.4 p90 -176.19 112.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.3 -36.86 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -83.66 6.71 19.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.634 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.27 -15.43 13.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 108.316 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.41 ' N ' ' HD3' ' A' ' 120' ' ' PRO . 4.3 pt-20 -137.23 64.08 45.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 119' ' ' GLU . 18.3 Cg_endo -75.01 -162.67 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.552 1.817 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 60.54 151.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.29 59.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -74.47 65.82 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.27 161.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -102.63 109.13 20.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.61 1.194 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -102.76 -103.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.4 102.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.37 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.439 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -152.09 132.36 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 128' ' ' LYS . 2.5 m-85 -170.1 40.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -86.44 151.67 23.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.0 tt -170.89 -41.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -120.77 171.9 8.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.123 . . . . 0.0 109.618 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.0 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.22 169.07 11.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.783 . . . . 0.0 110.019 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.05 169.37 34.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.81 152.78 38.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 0.743 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.12 105.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.33 166.26 29.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.399 1.062 . . . . 0.0 110.375 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 15.3 t -171.14 151.49 3.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.392 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 21' ' ' THR . . . 179.56 178.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -148.96 175.11 11.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.299 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.93 135.99 9.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.595 1.184 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -167.9 102.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -170.21 177.11 4.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -143.32 -162.76 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 3.3 ptp180 -122.82 89.15 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -115.93 -35.49 4.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -175.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.588 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 ttm 178.72 178.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -143.98 164.97 29.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.5 m -141.75 147.22 44.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.981 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.14 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.8 148.29 24.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -146.88 84.18 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.407 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -166.88 154.64 25.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.092 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 40' ' ' LEU . 67.5 m 61.45 135.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.774 . . . . 0.0 110.442 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 39' ' ' THR . 11.8 t -37.68 95.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.802 HD12 ' N ' ' A' ' 41' ' ' LEU . 3.8 pp -109.54 -61.88 1.57 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.802 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -174.47 52.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' TYR . 0.9 OUTLIER 80.68 39.33 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.407 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 1.6 pt20 -38.17 -31.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' GLU . 0.5 OUTLIER 179.0 153.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.49 -172.09 1.97 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.547 1.155 . . . . 0.0 108.286 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.413 ' O ' ' CB ' ' A' ' 72' ' ' PRO . 2.2 t-80 -52.58 125.99 18.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.607 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.728 ' HD2' HG22 ' A' ' 49' ' ' THR . 0.2 OUTLIER -45.47 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.253 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 48' ' ' THR . 0.6 OUTLIER 87.64 31.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.391 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.733 HG23 ' N ' ' A' ' 50' ' ' ILE . 2.2 t -165.44 -156.18 0.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.165 . . . . 0.0 110.388 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.742 HG23 ' H ' ' A' ' 51' ' ' GLY . 5.1 tt 28.98 -94.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.742 ' H ' HG23 ' A' ' 50' ' ' ILE . . . 81.13 -46.87 3.47 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.405 1.065 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -154.02 -49.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 0.802 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.554 ' O ' ' CB ' ' A' ' 54' ' ' SER . 36.5 m-85 -46.62 -65.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 53' ' ' PHE . 1.1 t 89.34 132.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.057 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.537 ' N ' ' HD3' ' A' ' 56' ' ' PRO . . . 33.33 57.29 0.55 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.537 ' HD3' ' N ' ' A' ' 55' ' ' GLY . 18.2 Cg_endo -75.09 -64.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.64 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -136.08 141.42 44.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.1 m -46.0 114.56 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.64 ' CE1' ' CD1' ' A' ' 57' ' ' TYR . 1.4 m-85 -127.99 158.56 37.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' SER . 80.4 m -64.43 155.21 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 108.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.452 ' O ' ' CD1' ' A' ' 109' ' ' TRP . 20.7 t30 -88.84 155.24 19.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 15.4 t -80.38 147.34 31.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.45 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -179.96 160.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pp -101.34 176.4 5.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -123.16 176.47 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -62.05 -22.85 66.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.348 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.0 pt -97.24 38.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 42.27 26.75 0.38 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.792 HG22 ' NE1' ' A' ' 71' ' ' TRP . 30.9 m -88.58 105.76 17.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 110.422 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.88 151.03 45.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 108.284 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.792 ' NE1' HG22 ' A' ' 69' ' ' THR . 95.0 m95 -147.06 100.27 3.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.025 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -74.94 155.66 43.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.533 1.807 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 72' ' ' PRO . 4.2 mt-30 -34.93 149.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.579 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 1.8 m -156.05 -157.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.94 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.59 148.48 36.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 77' ' ' GLY . 18.1 Cg_endo -75.06 149.96 37.19 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.552 1.817 . . . . 0.0 110.965 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 76' ' ' PRO . . . 34.79 50.78 0.79 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 79' ' ' LEU . . . -113.14 -6.84 13.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 0.785 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.814 ' N ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER 47.57 100.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.849 HG13 ' O ' ' A' ' 80' ' ' VAL . 1.3 p -72.53 58.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -77.96 126.33 30.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.519 ' N ' ' HD3' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -157.94 58.45 1.42 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.519 ' HD3' ' N ' ' A' ' 82' ' ' ARG . 18.4 Cg_endo -74.97 100.88 1.4 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.535 1.808 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER 54.09 103.68 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 108.256 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.424 ' CD ' ' HA ' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -75.08 -70.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.453 1.765 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.548 ' OE2' ' CG ' ' A' ' 93' ' ' TYR . 7.8 tp10 56.33 163.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.416 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 1.1 t80 -68.27 -51.09 48.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.545 ' CE1' ' O ' ' A' ' 89' ' ' ASN . 3.8 p90 -89.27 -24.84 21.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.545 ' O ' ' CE1' ' A' ' 88' ' ' PHE . 0.3 OUTLIER 81.62 114.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.463 ' HA3' ' CE1' ' A' ' 88' ' ' PHE . . . 150.34 -34.88 0.98 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.552 1.158 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.498 ' CG2' ' N ' ' A' ' 92' ' ' LYS . 2.2 mm -92.67 163.85 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.498 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -80.64 84.56 6.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.548 ' CG ' ' OE2' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -127.07 48.66 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 96' ' ' THR . 3.2 p30 -94.63 1.9 55.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 96' ' ' THR . 74.3 p 48.0 -91.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 94' ' ' ASN . 95.1 m -77.5 51.92 0.93 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 110.428 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 56.09 164.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -114.45 -175.44 2.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.791 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . -171.11 -176.03 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.603 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 0.1 OUTLIER 169.69 110.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.383 1.052 . . . . 0.0 111.01 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.681 ' NE ' ' CE3' ' A' ' 109' ' ' TRP . 5.3 ptt180 -145.84 146.56 31.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HG3' HD22 ' A' ' 79' ' ' LEU . 49.7 tt0 -76.91 147.83 36.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.416 ' N ' ' HG2' ' A' ' 102' ' ' GLU . 0.5 OUTLIER -111.9 164.89 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 108.35 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.1 mt -91.01 151.18 21.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.6 -2.52 23.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.0 -0.53 44.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.63 48.32 4.52 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.404 ' O ' ' SG ' ' A' ' 103' ' ' CYS . 1.0 OUTLIER -138.88 147.76 42.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.415 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.681 ' CE3' ' NE ' ' A' ' 101' ' ' ARG . 96.4 m95 -76.97 -171.58 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 107.983 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.02 -135.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.1 p -99.55 -49.96 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.025 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.73 141.69 19.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.791 HG22 ' HB1' ' A' ' 99' ' ' ALA . 9.3 p -110.11 130.1 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.615 ' O ' ' CD1' ' A' ' 115' ' ' TYR . 4.1 t-20 160.13 135.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 114' ' ' ASN . 47.0 m-85 -156.81 112.85 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 83.6 p -76.39 2.3 13.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.437 ' O ' HD21 ' A' ' 122' ' ' LEU . 12.0 m80 -74.9 1.52 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.607 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.42 ' HB2' ' CB ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -89.06 -39.34 13.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.476 ' CB ' ' HD3' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -43.21 -55.99 7.19 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.476 ' HD3' ' CB ' ' A' ' 119' ' ' GLU . 18.4 Cg_endo -74.98 149.93 37.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.1 tt -71.79 122.25 23.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.568 ' O ' HD12 ' A' ' 122' ' ' LEU . 2.2 pp -174.35 46.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.95 99.23 4.37 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -178.81 91.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.267 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? 42.65 62.62 1.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.27 119.3 38.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.583 1.177 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.11 144.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -124.23 117.97 25.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' A' ' 129' ' ' TYR . 45.7 p90 -58.11 133.12 55.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -161.28 166.37 27.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.3 tp -162.18 157.63 23.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.34 148.62 21.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.591 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 63.7 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.5 m 61.64 124.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.37 -176.28 17.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.0 ttm -149.52 124.93 10.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.67 -75.56 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -172.92 162.26 4.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 2.2 m -161.45 115.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 21' ' ' THR . . . 173.48 129.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -178.67 157.75 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.768 ' HB1' ' CZ ' ' A' ' 26' ' ' PHE . . . -104.79 156.16 18.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.01 80.86 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.768 ' CZ ' ' HB1' ' A' ' 24' ' ' ALA . 9.9 p90 -178.47 47.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 174.51 111.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.85 44.03 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -110.94 -77.94 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' A' ' 29' ' ' GLN . 0.2 OUTLIER 37.2 32.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.077 . . . . 0.0 109.636 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' GLN . 2.5 ptt? -140.01 132.56 28.7 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.26 118.26 11.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.0 m -150.9 152.42 31.72 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.586 1.179 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -101.75 139.28 37.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.65 -65.92 0.82 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.85 32.89 3.42 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.118 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.8 m -86.37 -1.06 57.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.419 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 39' ' ' THR . 9.4 t -175.44 55.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.437 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' THR . 0.2 OUTLIER -38.33 97.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.518 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.8 pp -93.39 28.15 2.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER 82.12 56.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 110.254 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' GLU . 2.8 mt-30 -36.13 152.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.357 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -68.53 95.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 76.1 m -48.99 -78.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.244 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -152.78 -54.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.564 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.597 ' C ' HG23 ' A' ' 48' ' ' THR . 6.1 tpt180 -81.53 -70.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.597 HG23 ' C ' ' A' ' 47' ' ' ARG . 1.9 p 64.69 -59.63 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.443 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.566 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER 59.69 149.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.721 HG23 ' N ' ' A' ' 51' ' ' GLY . 0.2 OUTLIER 45.62 -169.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.721 ' N ' HG23 ' A' ' 50' ' ' ILE . . . -138.61 79.23 0.3 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.155 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.3 t30 178.61 -68.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.242 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -179.15 -62.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.7 p -112.24 147.94 35.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.98 -136.97 3.62 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.667 ' O ' ' CG ' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -75.02 -157.89 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.526 1.803 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.692 ' CG ' ' CE2' ' A' ' 59' ' ' TYR . 11.8 p90 43.63 -175.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.947 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.9 m -146.82 15.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.35 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.692 ' CE2' ' CG ' ' A' ' 57' ' ' TYR . 2.4 p90 -82.18 179.28 7.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 2.7 m -69.25 125.65 27.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.265 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -107.18 163.02 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.242 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 0.8 OUTLIER -56.25 123.63 15.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.6 m -152.38 160.44 43.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.88 126.4 48.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 67' ' ' ILE . 3.8 t70 -91.91 -170.63 2.61 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -39.48 -29.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.89 HD12 HG21 ' A' ' 69' ' ' THR . 20.8 pt -93.91 106.6 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -30.62 -42.18 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.89 HG21 HD12 ' A' ' 67' ' ' ILE . 9.7 t -36.2 96.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 0.794 . . . . 0.0 110.4 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 68' ' ' GLY . 8.9 t -52.5 168.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.272 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.921 ' CH2' HG21 ' A' ' 113' ' ' VAL . 21.1 m95 -134.91 128.19 18.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.01 139.22 24.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.55 1.816 . . . . 0.0 111.053 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.551 ' HG2' ' N ' ' A' ' 74' ' ' SER . 0.3 OUTLIER -35.32 142.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.551 ' N ' ' HG2' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -138.97 177.24 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.8 160.92 25.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.41 ' HB3' ' N ' ' A' ' 107' ' ' GLY . 18.5 Cg_endo -74.92 147.02 33.73 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.445 1.761 . . . . 0.0 110.998 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.48 10.76 84.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.34 -165.7 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.472 HD12 ' HG2' ' A' ' 81' ' ' GLU . 3.8 pp -174.29 123.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.754 ' O ' HG12 ' A' ' 80' ' ' VAL . 25.1 t -99.55 62.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 109.219 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.472 ' HG2' HD12 ' A' ' 79' ' ' LEU . 18.8 pt-20 -78.49 129.43 34.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.45 ' N ' ' HD3' ' A' ' 83' ' ' PRO . 11.8 ptt180 -165.73 61.85 0.76 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 82' ' ' ARG . 18.4 Cg_endo -74.94 127.3 10.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.811 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.473 ' N ' ' SG ' ' A' ' 118' ' ' CYS . 59.1 m 62.97 138.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 108.314 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -22.43 14.92 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.414 ' OE2' ' HA ' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -70.5 177.82 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.383 1.052 . . . . 0.0 110.26 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -150.75 38.08 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.031 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.618 ' CG ' ' N ' ' A' ' 89' ' ' ASN . 16.0 p90 -121.29 -47.28 2.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.618 ' N ' ' CG ' ' A' ' 88' ' ' PHE . 1.1 t-20 83.44 122.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.499 ' CA ' HD12 ' A' ' 121' ' ' ILE . . . 160.5 -87.59 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.702 HG23 ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -175.07 92.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.436 0.727 . . . . 0.0 109.33 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.4 tptt 179.38 49.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.585 ' HD1' HG23 ' A' ' 95' ' ' THR . 40.9 p90 -102.63 130.37 49.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 111.003 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.556 ' ND2' ' H ' ' A' ' 94' ' ' ASN . 0.2 OUTLIER -103.96 -4.54 23.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.585 HG23 ' HD1' ' A' ' 93' ' ' TYR . 80.4 p 46.25 87.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.403 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.603 HG22 ' HD2' ' A' ' 97' ' ' ARG . 97.0 m -104.73 -52.65 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.406 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.603 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -163.74 78.33 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.572 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 9.6 p30 -128.1 170.61 12.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.605 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . 171.19 -167.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.43 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 0.6 OUTLIER -176.21 126.88 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.555 ' HG3' HG23 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -148.96 141.63 24.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -103.5 144.83 30.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.47 106.95 17.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.328 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.7 mt -53.33 165.73 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -77.04 1.21 18.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -99.94 -2.17 35.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.41 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 79.58 50.41 5.69 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.431 1.082 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 82.7 p -140.89 138.95 34.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 0.712 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' ' 101' ' ' ARG . 71.4 m95 -65.94 -171.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 107.961 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.44 -150.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.89 -43.83 5.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.486 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 3.7 ttm180 -141.78 143.71 33.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.921 HG21 ' CH2' ' A' ' 71' ' ' TRP . 4.0 p -114.8 179.26 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.677 ' H ' HG22 ' A' ' 113' ' ' VAL . 2.6 t30 82.98 -58.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.486 ' CE1' ' O ' ' A' ' 112' ' ' ARG . 30.1 m-85 55.87 115.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.96 1.37 20.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.943 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' A' ' 117' ' ' HIS . 0.0 OUTLIER -104.41 32.02 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 84' ' ' CYS . 48.9 t -38.78 -50.08 1.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 108.267 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -171.11 91.14 0.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.33 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.7 3.72 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.538 1.809 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.499 HD12 ' CA ' ' A' ' 90' ' ' GLY . 2.5 mt -56.0 134.29 19.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.2 pp -84.67 107.79 17.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -123.44 169.98 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 20.4 t70 60.18 97.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 174.58 7.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -62.46 -103.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.229 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 68.32 -171.41 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -83.56 86.78 7.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 54.16 176.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.054 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -179.45 145.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.3 tt -154.16 131.12 10.93 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.54 172.46 7.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.607 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 93.4 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.993 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.0 p -178.61 154.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 0.783 . . . . 0.0 109.97 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.02 179.28 37.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -148.23 171.53 15.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -126.51 -72.61 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.367 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 57.59 100.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 1.058 . . . . 0.0 110.26 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -141.85 136.82 30.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.68 174.61 8.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.341 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.99 179.52 4.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 25' ' ' LYS . . . -161.59 -107.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER 41.48 -161.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.07 . . . . 0.0 109.338 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 6.2 m-85 -175.69 -176.91 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -139.72 154.63 47.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 110.277 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -115.11 148.36 39.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -120.9 -54.09 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 64.63 -162.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.635 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -160.87 175.51 12.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.3 159.59 3.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 m -134.37 152.15 77.53 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.426 1.75 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -126.36 136.31 52.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 mp -90.83 -69.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.26 -141.94 45.26 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 m 60.05 82.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 110.392 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 m 62.74 109.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.434 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.92 146.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.175 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mt -129.22 8.49 5.56 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.611 1.195 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.89 15.07 18.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 52.31 177.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -91.08 72.22 6.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -51.04 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 108.307 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.408 ' CG ' ' N ' ' A' ' 47' ' ' ARG . 7.4 p80 -61.5 -156.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.606 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.481 ' O ' ' HB ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -117.38 -95.44 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.481 ' HB ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 169.29 121.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.416 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.732 HG23 ' O ' ' A' ' 49' ' ' THR . 0.9 OUTLIER -172.18 33.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.094 . . . . 0.0 110.371 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.1 tt -159.74 150.83 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 132.73 -61.63 0.65 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -113.27 -13.85 12.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 0.81 . . . . 0.0 109.337 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -166.91 158.59 12.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.98 123.7 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.64 1.212 . . . . 0.0 109.969 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.436 ' N ' ' HD3' ' A' ' 56' ' ' PRO . . . -134.11 62.35 0.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.438 ' O ' ' HB2' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -74.96 -179.54 5.07 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.461 1.769 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER 178.18 -143.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 58' ' ' THR . 22.6 m 54.16 19.38 2.11 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.928 ' CZ ' ' HB2' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -119.29 164.75 15.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 74' ' ' SER . 11.2 m -69.13 136.02 51.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.285 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -86.05 152.4 22.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 t -73.05 130.07 39.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 t -167.1 156.76 10.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.435 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.676 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -119.46 159.5 24.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.248 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -134.14 -153.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.26 -26.11 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.347 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.662 HG21 ' OD1' ' A' ' 114' ' ' ASN . 12.6 pt -101.05 101.24 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.444 1.09 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -34.71 -36.37 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.632 HG23 ' O ' ' A' ' 69' ' ' THR . 12.6 t -41.55 98.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.76 . . . . 0.0 110.435 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.6 t -66.12 137.6 57.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 108.316 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.539 ' CE3' HG11 ' A' ' 80' ' ' VAL . 77.7 m95 -109.14 117.7 52.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.014 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.1 Cg_endo -75.03 143.93 29.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -37.07 153.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 110.32 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.584 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -156.07 -170.44 3.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.036 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.928 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . . . -94.51 166.71 14.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.244 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.569 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -74.99 151.16 39.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.544 1.813 . . . . 0.0 111.051 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 46.97 47.1 19.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 79' ' ' LEU . . . -101.2 -9.69 21.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 0.723 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER 39.0 90.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.766 ' O ' HG12 ' A' ' 80' ' ' VAL . 25.6 t -77.02 61.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -78.1 119.97 22.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 -124.02 73.89 56.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.49 ' C ' ' SG ' ' A' ' 84' ' ' CYS . 18.3 Cg_endo -75.03 103.76 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.49 ' SG ' ' C ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER 53.53 171.62 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 108.325 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -70.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.543 1.812 . . . . 0.0 111.065 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -107.77 -173.23 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.604 1.19 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.28 83.81 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 111.056 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 89' ' ' ASN . 25.3 p90 -121.36 -47.75 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.546 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 0.3 OUTLIER 72.49 84.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.277 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.791 ' O ' HG23 ' A' ' 91' ' ' ILE . . . 164.95 -91.99 0.11 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.439 1.087 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.791 HG23 ' O ' ' A' ' 90' ' ' GLY . 1.3 pp -161.99 34.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.79 54.64 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -105.81 149.25 26.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -115.18 -69.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.61 ' O ' HG22 ' A' ' 96' ' ' THR . 31.5 p -151.0 -165.9 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 95' ' ' THR . 0.6 OUTLIER 87.03 -34.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 1.104 . . . . 0.0 110.455 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.32 163.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -106.15 154.6 20.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -176.49 -170.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.651 ' O ' HG13 ' A' ' 113' ' ' VAL . 53.7 t80 -161.45 100.24 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.978 ' CG ' HG11 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -104.53 93.58 4.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.224 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.529 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 2.8 pt-20 -81.03 122.37 27.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.298 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.598 ' SG ' ' CE3' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -103.88 139.31 39.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 108.32 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.2 158.63 26.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.81 -2.49 20.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.62 1.27 56.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 77.58 46.78 9.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.445 1.09 . . . . 0.0 111.088 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.7 p -131.23 173.1 11.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 110.487 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.598 ' CE3' ' SG ' ' A' ' 103' ' ' CYS . 6.9 m95 -105.3 179.53 4.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.529 ' HB2' ' HG3' ' A' ' 102' ' ' GLU . . . -96.73 -153.14 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.54 -74.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.552 ' O ' ' CZ ' ' A' ' 115' ' ' TYR . 0.7 OUTLIER -105.42 121.57 44.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 110.245 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.978 HG11 ' CG ' ' A' ' 101' ' ' ARG . 41.9 t -124.92 117.06 49.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.25 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.662 ' OD1' HG21 ' A' ' 67' ' ' ILE . 57.2 t30 174.53 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.605 ' N ' ' CD1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -59.78 76.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 114' ' ' ASN . 2.3 p -77.62 -34.12 53.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.521 ' CE1' ' HB2' ' A' ' 115' ' ' TYR . 34.8 m-70 70.65 31.59 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.612 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER -106.4 -29.2 9.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.365 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.619 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 7.3 tt0 -68.96 -43.96 27.71 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.5 Cg_endo -75.01 58.16 4.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.538 1.809 . . . . 0.0 111.066 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.37 159.03 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.07 77.44 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 45.6 p-10 -142.11 89.68 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.96 97.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.04 128.42 47.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -100.58 164.63 11.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.88 158.97 37.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.37 177.67 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -164.21 172.91 13.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -112.51 165.98 11.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.35 143.74 4.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 31.9 p-80 -128.45 171.83 11.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.534 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 44.1 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.2 p -142.26 169.35 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.043 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.86 147.87 43.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.433 1.083 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.22 133.49 50.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 0.76 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -124.51 114.94 20.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -144.0 146.22 32.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.26 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -168.21 136.09 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.439 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -154.4 176.6 12.13 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 64.38 131.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.7 88.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.78 99.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -160.32 171.73 18.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.58 -102.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.322 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -128.59 59.47 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.358 1.036 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -62.23 -66.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.527 ' O ' ' C ' ' A' ' 31' ' ' MET . 0.6 OUTLIER -163.52 90.71 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.597 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.527 ' C ' ' O ' ' A' ' 30' ' ' HIS . 2.7 ptt? 25.51 90.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -84.7 144.74 28.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.604 1.19 . . . . 0.0 109.364 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.54 161.07 0.12 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -162.25 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.58 132.78 36.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.224 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.16 -81.0 0.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.377 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.53 142.58 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.5 t -88.96 23.32 2.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 0.737 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.686 ' OG1' HD23 ' A' ' 40' ' ' LEU . 9.0 t -145.24 -140.19 0.11 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.686 HD23 ' OG1' ' A' ' 39' ' ' THR . 0.1 OUTLIER -91.74 -68.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 pp -158.76 51.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 63.1 17.97 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 45' ' ' CYS . 0.3 OUTLIER 49.39 -178.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -63.88 76.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 46' ' ' HIS . 1.6 m -53.19 -58.39 7.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 108.302 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 45' ' ' CYS . 17.0 t-80 -36.86 144.36 0.07 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.492 1.12 . . . . 0.0 109.61 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.804 ' HG3' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -63.26 -86.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.347 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.804 HG22 ' HG3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 165.42 -40.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.65 HG22 ' C ' ' A' ' 48' ' ' THR . 0.1 OUTLIER 165.97 171.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 110.397 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.592 HG21 ' HG2' ' A' ' 56' ' ' PRO . 1.7 mp -76.38 -53.63 14.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.19 -36.06 0.12 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.555 1.159 . . . . 0.0 110.944 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 54' ' ' SER . 4.7 t30 -94.63 52.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 0.736 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 65.93 -69.07 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 111.056 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 52' ' ' ASN . 3.8 t -160.28 57.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.84 -89.19 0.36 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.592 ' HG2' HG21 ' A' ' 50' ' ' ILE . 18.2 Cg_endo -75.0 178.82 6.76 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.547 ' O ' ' CB ' ' A' ' 58' ' ' THR . 5.5 t80 179.5 -174.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.547 ' CB ' ' O ' ' A' ' 57' ' ' TYR . 4.0 m 85.47 32.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -120.83 147.07 45.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 7.7 m -44.42 128.64 6.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 108.273 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -108.66 166.32 10.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 71' ' ' TRP . 98.2 m -64.86 122.13 16.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 t -147.98 158.64 44.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.399 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 pp -91.94 140.43 29.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -93.74 -171.43 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -71.37 -12.82 61.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.9 pt -103.93 38.73 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 36.92 45.39 1.08 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.508 HG23 ' CD1' ' A' ' 71' ' ' TRP . 3.7 t -120.62 117.71 28.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 0.727 . . . . 0.0 110.439 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.9 t -99.87 110.15 22.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 108.274 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.843 ' O ' HG23 ' A' ' 62' ' ' THR . 23.7 m0 -95.46 157.4 36.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 108.002 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.0 146.91 33.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.446 ' N ' ' OG1' ' A' ' 62' ' ' THR . 0.0 OUTLIER -44.05 169.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.42 170.53 22.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.936 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.33 159.15 45.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 146.25 32.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.428 1.752 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.84 4.86 59.77 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.28 -150.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.73 . . . . 0.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.65 94.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.554 ' O ' HG12 ' A' ' 80' ' ' VAL . 89.1 t -93.61 61.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.526 ' HA ' ' CB ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -96.07 150.06 20.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 110.262 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.406 ' N ' ' HD3' ' A' ' 83' ' ' PRO . 1.9 ptp180 -157.44 64.15 3.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 84' ' ' CYS . 18.1 Cg_endo -75.03 132.29 15.21 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.777 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.428 ' O ' ' O ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER 62.33 134.44 0.04 OUTLIER Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.454 1.096 . . . . 0.0 108.336 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.585 ' HB2' ' CD1' ' A' ' 93' ' ' TYR . 18.3 Cg_endo -74.98 -158.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 0.6 OUTLIER -120.34 -144.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.14 . . . . 0.0 110.254 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.534 ' HB3' ' O ' ' A' ' 86' ' ' GLU . 0.7 OUTLIER 60.27 -80.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 92' ' ' LYS . 40.9 p90 -102.02 -32.8 9.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 88' ' ' PHE . 11.5 t-20 85.27 119.04 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.236 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.09 -90.48 0.13 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.647 HG21 ' H ' ' A' ' 121' ' ' ILE . 1.0 OUTLIER 179.54 96.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER 176.02 43.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.585 ' CD1' ' HB2' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -93.05 -156.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.721 ' C ' HG22 ' A' ' 95' ' ' THR . 0.0 OUTLIER -33.68 -60.12 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.721 HG22 ' C ' ' A' ' 94' ' ' ASN . 0.1 OUTLIER 165.54 -32.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.373 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.3 p -46.95 -39.96 13.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.533 ' CG ' HD11 ' A' ' 91' ' ' ILE . 5.2 mtt180 63.34 172.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.346 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.639 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 1.0 OUTLIER -40.06 144.79 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 98' ' ' ASN . . . 167.62 118.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.526 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 15.7 p90 -134.78 144.53 47.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.061 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.494 ' HG3' ' CB ' ' A' ' 113' ' ' VAL . 2.0 mtt180 -133.74 127.09 32.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.721 ' HG2' ' HB2' ' A' ' 110' ' ' ALA . 0.7 OUTLIER -88.22 141.22 28.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.252 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.439 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 1.6 m -104.77 111.96 24.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 108.269 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -63.94 163.53 11.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -77.42 1.33 19.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.7 -3.3 49.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.17 43.17 8.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.1 p -132.03 163.91 27.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 0.73 . . . . 0.0 110.405 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.468 ' CE3' ' HB3' ' A' ' 101' ' ' ARG . 14.6 m95 -87.93 -173.13 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.721 ' HB2' ' HG2' ' A' ' 102' ' ' GLU . . . -91.38 -162.2 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.4 p -70.07 -51.98 27.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.074 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.446 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -179.04 121.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.822 HG21 ' CH2' ' A' ' 71' ' ' TRP . 0.3 OUTLIER -48.85 178.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.664 ' O ' ' CD1' ' A' ' 115' ' ' TYR . 5.7 t-20 89.54 -144.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.695 ' CG ' ' O ' ' A' ' 115' ' ' TYR . 25.6 p90 35.15 91.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.57 1.169 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 117' ' ' HIS . 65.5 p -122.25 -69.98 0.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 109.983 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.425 ' N ' ' OG ' ' A' ' 116' ' ' SER . 14.4 m80 79.59 11.57 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.662 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -53.57 56.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -148.92 95.86 3.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.535 ' HD2' HD12 ' A' ' 122' ' ' LEU . 18.3 Cg_endo -75.05 93.3 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.466 1.771 . . . . 0.0 111.03 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.777 ' O ' HG23 ' A' ' 121' ' ' ILE . 4.1 tp 34.3 50.73 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.535 HD12 ' HD2' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -67.74 142.92 56.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.254 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 122' ' ' LEU . 1.0 OUTLIER 156.76 111.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.93 101.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 126' ' ' GLN . 0.0 OUTLIER -155.33 -160.76 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 125' ' ' LYS . 0.4 OUTLIER 34.28 88.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 122.01 23.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.04 -169.75 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 130' ' ' ASP . 39.3 t80 59.26 151.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.959 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 1.3 p30 162.13 167.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.361 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.3 143.46 32.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -177.37 155.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.612 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 13.4 t80 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.956 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 p -168.5 117.4 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 0.722 . . . . 0.0 109.949 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 19' ' ' LYS . . . 135.25 -40.2 1.58 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 44.1 mmm 53.17 -90.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 17' ' ' GLY . 14.1 mttp -112.59 -61.32 1.74 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 176.23 170.5 0.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 110.232 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.0 t -105.74 164.75 11.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.4 121.81 21.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -176.95 127.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.45 153.84 41.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.25 138.84 49.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -105.63 175.72 5.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 63.04 164.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.46 131.63 56.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -87.86 -76.22 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 75.71 143.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.575 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.3 mtt -77.83 74.35 4.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 61.32 147.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.6 151.59 39.7 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.443 1.759 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 40.2 -158.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 174.9 73.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.528 ' O ' HG22 ' A' ' 39' ' ' THR . . . 141.9 -56.89 0.58 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.447 1.092 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.4 p 39.83 59.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 0.743 . . . . 0.0 110.347 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 37' ' ' GLY . 3.5 t -173.9 46.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.517 HD23 HG23 ' A' ' 39' ' ' THR . 0.4 OUTLIER -179.51 171.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 pp -131.61 9.37 4.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -120.79 13.06 11.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.231 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.448 ' O ' HD13 ' A' ' 40' ' ' LEU . 4.5 tp-100 48.52 -91.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.4 1.063 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -174.2 -60.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.4 m 43.97 73.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 108.302 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -104.11 117.25 33.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.586 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.405 ' O ' HG22 ' A' ' 48' ' ' THR . 5.8 ptm180 -117.19 -5.27 11.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 110.247 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER 67.37 125.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.435 HG21 ' OE1' ' A' ' 73' ' ' GLN . 8.9 t -153.55 143.4 21.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.871 HD13 ' HD2' ' A' ' 56' ' ' PRO . 5.3 mt 53.13 100.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.27 80.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.567 1.167 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' ILE . 14.4 t-20 -169.55 32.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 0.718 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 52' ' ' ASN . 0.1 OUTLIER 37.2 48.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.13 178.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.964 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.69 87.53 0.27 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.409 1.068 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.871 ' HD2' HD13 ' A' ' 50' ' ' ILE . 18.5 Cg_endo -75.0 -161.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.553 1.817 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.506 ' CG ' ' N ' ' A' ' 58' ' ' THR . 45.2 t80 54.2 168.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.506 ' N ' ' CG ' ' A' ' 57' ' ' TYR . 18.3 m -80.7 62.74 4.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.798 ' CE1' ' HB2' ' A' ' 75' ' ' ALA . 3.4 t80 -97.49 166.67 11.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.438 ' HB2' ' N ' ' A' ' 74' ' ' SER . 41.8 m -77.29 161.36 28.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.317 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -117.77 167.73 11.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 8.9 t -93.63 134.81 35.54 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.67 169.2 24.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.449 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.805 HD12 ' N ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -151.55 159.24 44.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.805 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -173.67 -164.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -37.7 -48.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.694 HD13 ' H ' ' A' ' 67' ' ' ILE . 0.1 OUTLIER -132.49 35.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.624 ' O ' ' CD1' ' A' ' 71' ' ' TRP . . . -78.47 -17.2 78.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.645 ' CG2' ' CZ2' ' A' ' 71' ' ' TRP . 4.2 t 39.23 28.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' GLY . 5.9 t 45.63 83.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.645 ' CZ2' ' CG2' ' A' ' 69' ' ' THR . 87.0 m95 -79.03 114.72 46.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 107.963 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.462 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.9 64.76 5.98 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER 40.5 -165.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.552 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 168.09 179.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.798 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . . . -99.07 162.06 22.71 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.438 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.6 Cg_endo -74.9 145.57 32.01 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 111.035 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 67.16 18.28 68.97 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.614 ' O ' HD12 ' A' ' 79' ' ' LEU . . . -86.62 -155.94 0.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -164.0 113.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.76 ' O ' HG12 ' A' ' 80' ' ' VAL . 25.3 t -110.9 61.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -100.77 143.13 31.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.502 ' N ' ' HD3' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -163.44 59.6 0.83 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.358 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 82' ' ' ARG . 18.4 Cg_endo -75.01 128.19 11.27 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.477 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 2.0 m 48.45 98.92 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 108.288 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.428 ' HA ' ' HB2' ' A' ' 93' ' ' TYR . 18.5 Cg_endo -74.96 77.16 3.18 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 170.09 -160.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 0.7 OUTLIER 63.59 -135.61 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.734 ' CG ' ' N ' ' A' ' 89' ' ' ASN . 18.7 p90 -70.58 -55.44 8.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.734 ' N ' ' CG ' ' A' ' 88' ' ' PHE . 5.2 m-80 22.3 -90.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 88' ' ' PHE . . . 82.05 -9.62 56.38 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 111.06 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.73 HG23 ' N ' ' A' ' 92' ' ' LYS . 1.1 tp -96.88 -138.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.73 ' N ' HG23 ' A' ' 91' ' ' ILE . 77.2 tttt -85.32 58.88 5.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.364 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.663 ' CD2' ' O ' ' A' ' 93' ' ' TYR . 35.7 p90 -103.95 53.11 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.73 -92.37 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.504 ' C ' HG23 ' A' ' 96' ' ' THR . 2.3 p -125.63 92.64 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.379 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.504 HG23 ' C ' ' A' ' 95' ' ' THR . 35.0 p -156.8 24.52 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 65.77 174.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.302 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.482 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 0.2 OUTLIER -112.03 114.96 28.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.362 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.977 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . 176.55 -164.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.648 ' CD2' ' NE2' ' A' ' 117' ' ' HIS . 0.0 OUTLIER -154.96 124.31 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 111.028 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.449 ' CG ' HG23 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -149.63 122.09 8.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.94 162.14 14.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -113.33 113.84 25.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.3 mt -54.0 173.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -77.8 1.13 21.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -97.31 -1.85 43.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.33 23.11 61.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.596 1.185 . . . . 0.0 111.069 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.3 p -110.96 172.02 7.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 110.371 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.515 ' CZ2' ' HB3' ' A' ' 71' ' ' TRP . 56.2 m95 -92.19 -172.04 3.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.8 -170.44 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -60.05 3.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.468 ' HG2' HD11 ' A' ' 67' ' ' ILE . 2.3 ttt180 -178.78 128.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.977 HG22 ' HB1' ' A' ' 99' ' ' ALA . 0.8 OUTLIER -40.59 159.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -169.64 152.82 4.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.565 ' N ' ' CD1' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -111.21 82.88 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 111.001 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -119.29 1.43 11.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.648 ' NE2' ' CD2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -146.45 55.06 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 0.0 109.56 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 120' ' ' PRO . 0.7 OUTLIER -56.35 -61.19 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.307 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.08 78.42 9.84 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 121' ' ' ILE . 18.4 Cg_endo -74.97 -160.5 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.586 ' H ' HD12 ' A' ' 121' ' ' ILE . 3.1 mp -37.32 154.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.15 -170.05 2.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 6.6 t0 -116.76 153.07 33.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 123' ' ' ASP . 3.2 m-20 52.35 97.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 160.6 28.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.49 175.21 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -79.64 76.46 6.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.242 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.37 166.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 109.354 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -123.56 164.85 18.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -135.97 150.75 49.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.4 tp -175.74 100.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -152.72 170.59 19.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.601 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m 62.46 138.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.73 -123.71 1.49 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.586 1.179 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.0 mtm 60.78 140.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 111.006 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -145.77 158.28 43.87 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -177.23 169.78 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -132.72 155.69 48.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.47 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.61 165.69 15.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.632 1.208 . . . . 0.0 109.25 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.29 175.76 8.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -129.37 -113.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.81 150.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.223 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -120.25 175.83 5.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -140.21 88.94 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.344 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.71 170.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.24 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -72.81 -50.18 25.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 65.31 172.56 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.567 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.4 ttt -110.38 178.78 4.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.435 1.084 . . . . 0.0 111.077 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -105.85 167.28 9.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.46 148.38 34.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.478 ' O ' ' O ' ' A' ' 35' ' ' ASP . 18.4 Cg_endo -74.95 174.8 12.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' O ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER 42.49 95.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.85 -42.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.723 ' O ' HG22 ' A' ' 38' ' ' THR . . . -56.62 -73.59 0.42 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.723 HG22 ' O ' ' A' ' 37' ' ' GLY . 14.3 t 49.62 23.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 110.373 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.566 HG22 ' H ' ' A' ' 40' ' ' LEU . 4.5 m -127.57 -144.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.566 ' H ' HG22 ' A' ' 39' ' ' THR . 1.5 mt -71.26 -44.61 64.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 73.0 7.99 5.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.341 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -120.88 23.61 10.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -39.09 104.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 51.91 81.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.55 72.8 4.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 108.364 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.434 ' HA ' ' CG2' ' A' ' 62' ' ' THR . 13.9 t-160 -172.8 115.34 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.596 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.481 ' O ' HG22 ' A' ' 48' ' ' THR . 8.7 ptm180 -103.48 -38.97 6.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.665 ' O ' HG22 ' A' ' 49' ' ' THR . 0.5 OUTLIER 69.77 152.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.432 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 48' ' ' THR . 0.6 OUTLIER 83.91 -179.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.446 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.719 HG21 ' OH ' ' A' ' 57' ' ' TYR . 19.7 mt -151.78 -67.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.1 54.41 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -166.74 -63.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.754 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 54' ' ' SER . 9.2 p90 -172.71 -41.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 1.181 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.486 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 30.3 p -162.49 141.47 9.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.01 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -36.7 98.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.403 ' HD2' HD12 ' A' ' 50' ' ' ILE . 18.2 Cg_endo -75.05 -69.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.556 1.819 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.719 ' OH ' HG21 ' A' ' 50' ' ' ILE . 5.8 p90 -79.48 161.62 25.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 111.065 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 58' ' ' THR . 4.4 t -69.01 98.38 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.399 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.715 ' CE1' ' HB2' ' A' ' 75' ' ' ALA . 20.1 t80 -114.89 159.3 20.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.46 ' HB2' ' CA ' ' A' ' 74' ' ' SER . 10.0 m -75.1 133.21 41.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 108.342 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -93.16 168.08 11.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.434 ' CG2' ' HA ' ' A' ' 46' ' ' HIS . 5.9 t -90.06 130.46 36.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.427 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.41 172.84 2.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.391 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.588 ' O ' HD12 ' A' ' 64' ' ' LEU . 4.4 pp -130.23 125.3 34.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -169.68 36.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.413 ' OE1' ' NE1' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -123.34 -65.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.267 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.537 HG21 ' CZ ' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -143.75 38.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.1 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.26 -3.76 65.48 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 m -88.57 148.51 24.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.445 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -114.76 120.75 41.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.497 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . 0.4 OUTLIER -90.96 129.45 44.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.5 Cg_endo -74.96 83.27 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 62' ' ' THR . 3.8 mt-30 47.64 -176.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.615 ' OG ' ' CH2' ' A' ' 109' ' ' TRP . 0.0 OUTLIER 176.48 179.01 0.21 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.087 . . . . 0.0 110.004 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.715 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . . . -112.68 166.8 10.28 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.564 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -74.99 145.04 30.99 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.551 1.817 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 56.43 16.14 14.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.662 ' O ' HD22 ' A' ' 79' ' ' LEU . . . -71.79 -147.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.769 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.787 HD12 ' CG ' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -158.87 86.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.709 HG21 ' HH2' ' A' ' 109' ' ' TRP . 79.1 t -89.77 65.57 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.787 ' CG ' HD12 ' A' ' 79' ' ' LEU . 23.4 mt-10 -74.34 139.91 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.705 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 12.7 ttm-85 -156.06 135.03 7.71 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 137.75 22.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.651 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 1.7 m -45.59 113.23 1.89 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 108.281 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.588 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 18.3 Cg_endo -75.03 150.69 38.39 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.527 1.804 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.58 89.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' PRO . 2.4 t80 178.56 -35.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.734 ' CE1' HG22 ' A' ' 91' ' ' ILE . 2.3 p90 -35.7 -45.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.423 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 27.3 m120 -140.45 -62.07 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.23 58.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.577 1.173 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.734 HG22 ' CE1' ' A' ' 88' ' ' PHE . 1.2 tp -137.18 -176.11 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.531 ' N ' HG23 ' A' ' 91' ' ' ILE . 10.6 pttt -78.63 110.26 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.574 ' O ' ' CG ' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -77.32 58.29 1.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.972 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -119.33 -43.41 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.478 ' C ' HG22 ' A' ' 96' ' ' THR . 1.1 t -121.36 162.51 20.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.439 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.478 HG22 ' C ' ' A' ' 95' ' ' THR . 1.2 t 43.25 85.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.411 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.18 135.68 10.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.435 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 0.3 OUTLIER -141.83 118.24 10.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 82' ' ' ARG . . . -151.6 52.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.792 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -100.03 161.71 13.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.68 ' CZ ' ' HB2' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -160.35 142.47 12.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.411 ' C ' HH12 ' A' ' 101' ' ' ARG . 2.6 pt-20 -103.85 129.46 51.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.349 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -68.35 130.29 42.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 108.375 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.79 160.5 9.36 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -69.86 -4.52 20.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.659 ' HB3' HG23 ' A' ' 108' ' ' THR . 0.6 OUTLIER -99.73 8.09 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 70.68 15.01 73.12 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.659 HG23 ' HB3' ' A' ' 106' ' ' ASN . 45.6 p -89.43 176.89 6.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 0.729 . . . . 0.0 110.373 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.709 ' HH2' HG21 ' A' ' 80' ' ' VAL . 4.5 m95 -93.84 179.15 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 108.033 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.641 ' N ' HH21 ' A' ' 101' ' ' ARG . . . -98.9 141.49 31.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.15 -51.28 4.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.597 1.186 . . . . 0.0 109.953 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -165.99 123.24 1.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 100' ' ' TYR . 12.5 p -42.68 146.74 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 100' ' ' TYR . 12.7 p30 -64.27 123.49 19.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.572 ' CZ ' ' SG ' ' A' ' 84' ' ' CYS . 0.2 OUTLIER -134.74 87.48 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 111.003 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.0 m -118.94 -62.98 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.045 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 119' ' ' GLU . 27.9 m-70 -95.35 21.77 7.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.584 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.537 ' SG ' ' CE2' ' A' ' 115' ' ' TYR . 37.9 t -68.69 71.68 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 108.33 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.604 ' CD ' ' CE1' ' A' ' 88' ' ' PHE . 0.9 OUTLIER 28.4 70.43 0.51 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.33 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 59.47 5.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.21 153.05 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.13 54.7 2.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 123' ' ' ASP . 2.8 p-10 -74.2 115.79 14.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 71.02 98.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.17 82.63 2.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.234 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 38.67 50.44 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.455 ' HB2' ' NH1' ' A' ' 127' ' ' ARG . 0.2 OUTLIER 50.59 91.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -68.29 -12.84 61.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -165.47 153.54 11.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.27 120.25 2.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -166.23 65.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -151.17 137.3 18.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.597 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 33.9 t80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 p -135.01 155.06 51.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.57 133.36 1.5 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.4 mmm -91.3 169.17 11.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -174.39 113.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.176 . . . . 0.0 109.308 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.41 141.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.47 -43.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.399 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 63.15 152.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.75 155.22 3.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -136.19 174.65 10.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.585 ' O ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -95.1 144.43 25.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 2.0 m-85 177.12 95.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -145.26 172.38 13.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 56.72 63.19 2.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.42 -67.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -165.96 70.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.574 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.9 tmm? -80.99 113.53 19.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -48.53 164.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.206 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -45.51 150.19 0.93 Allowed Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.442 ' HG2' HG21 ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.97 -162.24 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -40.41 149.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 tt -50.69 -46.36 58.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.377 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.26 -105.16 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.442 HG21 ' HG2' ' A' ' 34' ' ' PRO . 3.2 m 53.71 22.78 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.757 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 39' ' ' THR . 1.2 m -169.34 84.55 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.591 1.182 . . . . 0.0 110.345 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.473 ' CD1' ' HG2' ' A' ' 43' ' ' GLN . 0.5 OUTLIER -40.37 119.77 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.37 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.502 ' O ' HD12 ' A' ' 41' ' ' LEU . 3.0 pp -98.6 6.46 47.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.3 OUTLIER -106.01 17.75 23.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.357 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.473 ' HG2' ' CD1' ' A' ' 40' ' ' LEU . 9.5 mm-40 -37.94 -56.04 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 44' ' ' TYR . 8.5 p90 -141.58 158.92 43.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.9 t -163.7 -45.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.153 . . . . 0.0 108.256 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.542 ' CD2' ' HD2' ' A' ' 47' ' ' ARG . 2.2 t60 -121.08 -151.04 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.605 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.542 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -66.79 -12.6 59.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.351 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.681 HG23 ' N ' ' A' ' 49' ' ' THR . 0.5 OUTLIER 54.35 -173.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.389 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.681 ' N ' HG23 ' A' ' 48' ' ' THR . 0.6 OUTLIER 82.25 154.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.413 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.58 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -24.96 -62.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.499 ' O ' ' CG2' ' A' ' 49' ' ' THR . . . -155.92 -173.19 24.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' A' ' 53' ' ' PHE . 16.6 t30 -41.28 104.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 0.737 . . . . 0.0 109.219 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 0.1 OUTLIER 70.83 -58.07 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.71 63.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.02 89.61 0.1 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.414 1.071 . . . . 0.0 111.067 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.631 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 18.4 Cg_endo -74.98 -65.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.631 ' CD1' ' O ' ' A' ' 56' ' ' PRO . 29.4 p90 38.19 -163.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.498 ' N ' ' CD2' ' A' ' 57' ' ' TYR . 4.4 p -67.38 80.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.492 ' C ' ' CD1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -142.54 166.08 25.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 111.051 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.84 128.56 34.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 108.325 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 62' ' ' THR . 16.6 t-20 -90.96 163.28 14.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.26 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 13.0 t -85.42 114.01 22.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -148.33 159.8 43.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.08 . . . . 0.0 110.442 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 pp -79.08 163.85 24.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.499 ' OD1' ' CZ ' ' A' ' 101' ' ' ARG . 4.7 t0 -125.75 -164.16 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -55.33 -42.74 74.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.527 ' O ' ' C ' ' A' ' 68' ' ' GLY . 42.0 pt -102.21 34.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.527 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 25.06 54.03 0.05 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.426 1.079 . . . . 0.0 111.065 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.551 ' O ' HG22 ' A' ' 69' ' ' THR . 1.1 m -84.0 11.49 7.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.434 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.507 ' C ' ' O ' ' A' ' 69' ' ' THR . 0.5 OUTLIER 33.29 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 108.291 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.482 ' O ' ' HA ' ' A' ' 62' ' ' THR . 91.8 m95 -87.85 124.02 67.97 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -74.96 147.83 34.62 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.461 1.769 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.472 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 3.2 mt-30 -37.95 157.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.6 m -157.23 -166.38 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 110.044 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.503 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -117.01 164.53 18.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.503 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -75.08 148.63 35.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.91 44.11 98.28 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.03 -170.39 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.611 0.83 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.447 ' CD2' ' OE1' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -145.26 103.45 3.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.404 1.065 . . . . 0.0 109.349 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.629 HG21 ' HH2' ' A' ' 109' ' ' TRP . 26.3 t -102.12 52.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.543 ' HB2' ' CD2' ' A' ' 100' ' ' TYR . 8.7 pt-20 -87.84 149.17 24.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -137.25 120.35 11.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.49 38.75 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.543 ' SG ' ' CB ' ' A' ' 88' ' ' PHE . 60.7 m -43.07 153.69 0.33 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.407 1.067 . . . . 0.0 108.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -49.3 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.613 ' HA ' ' CD1' ' A' ' 93' ' ' TYR . 15.8 pt-20 -167.59 136.44 2.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.486 ' O ' ' O ' ' A' ' 86' ' ' GLU . 86.6 t80 37.42 98.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.548 ' CG ' ' N ' ' A' ' 89' ' ' ASN . 22.3 p90 -115.99 -47.81 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.548 ' N ' ' CG ' ' A' ' 88' ' ' PHE . 3.3 p30 160.67 47.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 172.86 -108.44 0.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.767 ' O ' HD13 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -179.84 97.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt 171.34 39.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.613 ' CD1' ' HA ' ' A' ' 86' ' ' GLU . 16.6 p90 -112.02 138.24 48.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.398 1.061 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.921 ' O ' HG23 ' A' ' 95' ' ' THR . 84.3 m-20 -121.93 -89.3 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.921 HG23 ' O ' ' A' ' 94' ' ' ASN . 0.6 OUTLIER -169.41 109.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.085 . . . . 0.0 110.376 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.691 HG22 ' C ' ' A' ' 95' ' ' THR . 0.1 OUTLIER 166.32 -87.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.401 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.661 ' H ' HG23 ' A' ' 96' ' ' THR . 0.6 OUTLIER 174.73 139.84 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.709 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 6.8 p30 -69.89 134.43 48.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.843 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . 160.15 177.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.35 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 99' ' ' ALA . 47.0 m-85 -157.06 109.32 2.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.499 ' CZ ' ' OD1' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -125.63 125.92 43.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -110.52 164.06 13.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.75 116.54 28.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 108.298 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.8 mt -56.09 169.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.242 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -78.63 1.13 23.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.45 -1.63 40.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.227 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 82.8 24.73 52.26 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.46 1.1 . . . . 0.0 110.956 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.9 p -104.3 175.65 5.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.362 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.629 ' HH2' HG21 ' A' ' 80' ' ' VAL . 13.1 m95 -96.03 -172.22 2.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.471 ' HB3' ' HE ' ' A' ' 101' ' ' ARG . . . -84.7 -144.07 0.09 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.501 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -91.47 -44.65 8.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.969 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.573 ' O ' HG12 ' A' ' 113' ' ' VAL . 5.8 mtt180 167.0 48.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.843 HG22 ' HB1' ' A' ' 99' ' ' ALA . 0.5 OUTLIER 47.9 -178.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.483 ' H ' HG22 ' A' ' 113' ' ' VAL . 0.3 OUTLIER 160.77 155.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.398 1.061 . . . . 0.0 109.36 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.62 ' N ' ' CD1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -116.51 88.31 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.86 -29.66 11.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.115 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 76.9 m-70 -95.29 1.67 54.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.608 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -117.41 84.11 2.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 108.361 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 4.4 mt-10 161.25 -49.84 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.4 Cg_endo -74.95 -169.27 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.737 ' O ' HG23 ' A' ' 121' ' ' ILE . 0.1 OUTLIER 34.58 89.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.088 . . . . 0.0 109.264 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 2.7 pp -121.68 170.17 9.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.3 t0 178.43 101.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -127.83 49.41 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.58 153.17 7.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.22 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -42.19 135.2 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -103.05 155.34 18.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.182 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.64 103.56 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -97.15 162.86 13.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -76.47 143.86 40.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.49 156.47 23.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -97.33 157.01 16.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.606 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.3 141.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 0.786 . . . . 0.0 110.001 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.69 -130.42 2.7 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.66 172.32 13.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.85 175.06 9.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -143.09 173.23 11.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.366 1.041 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 21' ' ' THR . 11.6 t -114.8 110.25 19.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.544 1.152 . . . . 0.0 110.411 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -42.75 -73.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . 66.73 175.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 23' ' ' ALA . . . 70.44 136.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.23 119.45 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -172.29 177.64 3.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 63.56 136.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.98 176.72 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.31 -58.23 1.98 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 59.11 156.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.609 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -175.28 -45.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.413 ' CG ' ' N ' ' A' ' 33' ' ' SER . 9.8 t70 56.7 166.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.367 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' A' ' 32' ' ' ASP . 0.6 OUTLIER -124.86 137.54 29.74 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 110.051 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.654 ' O ' ' HB3' ' A' ' 35' ' ' ASP . 18.3 Cg_endo -74.99 171.02 19.14 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.395 1.734 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.654 ' HB3' ' O ' ' A' ' 34' ' ' PRO . 41.4 p30 141.97 -142.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.43 82.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.51 179.03 39.55 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 39' ' ' THR . 57.6 m -60.25 -121.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 0.819 . . . . 0.0 110.332 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.409 ' H ' HG22 ' A' ' 38' ' ' THR . 2.6 t -162.13 61.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.427 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.799 HD13 ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -58.25 -166.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.3 mt -124.55 1.57 8.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.52 9.63 10.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.516 ' HG3' ' CD2' ' A' ' 44' ' ' TYR . 4.8 pt20 -51.76 -51.11 58.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.516 ' CD2' ' HG3' ' A' ' 43' ' ' GLN . 3.6 m-85 -120.73 174.9 6.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 0.0 110.977 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.5 ' O ' HG21 ' A' ' 62' ' ' THR . 24.4 m 73.94 96.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 108.225 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -172.93 137.7 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.594 1.184 . . . . 0.0 109.621 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.484 ' O ' ' HB ' ' A' ' 48' ' ' THR . 5.2 ptp180 -121.44 -52.2 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.339 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.484 ' HB ' ' O ' ' A' ' 47' ' ' ARG . 5.1 t -179.77 161.86 1.02 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' ILE . 47.1 p -137.55 136.32 37.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' THR . 37.0 mt -36.97 108.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.07 149.87 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -85.27 75.85 10.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 0.731 . . . . 0.0 109.351 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.54 ' O ' ' CG ' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -174.55 52.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.88 164.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.995 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.94 113.59 4.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -68.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.458 ' CG ' ' N ' ' A' ' 58' ' ' THR . 41.9 t80 -69.18 168.02 14.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 58' ' ' THR . 12.8 t -99.19 87.92 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 6.9 p90 -125.66 155.24 41.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 76' ' ' PRO . 7.6 m -47.97 132.53 15.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.228 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -111.96 172.6 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.5 HG21 ' O ' ' A' ' 45' ' ' CYS . 1.8 m -75.19 106.97 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.474 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -136.6 164.52 28.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.366 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' A' ' 63' ' ' THR . 0.5 OUTLIER -123.1 122.18 37.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.496 ' OD2' ' CZ ' ' A' ' 101' ' ' ARG . 0.2 OUTLIER -90.27 -167.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.345 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' ASP . 3.1 tp60 -38.42 -30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.661 HD13 ' HE1' ' A' ' 115' ' ' TYR . 25.6 pt -91.09 103.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -32.24 -38.58 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.553 1.158 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' ILE . 1.7 m -44.54 110.59 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 0.742 . . . . 0.0 110.353 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.47 153.42 35.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 108.255 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.53 ' CZ2' HD11 ' A' ' 67' ' ' ILE . 96.8 m95 -118.21 135.7 23.62 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.138 . . . . 0.0 107.98 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 138.03 22.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.34 162.72 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.03 -178.94 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.45 157.3 65.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.479 ' HB3' ' HA2' ' A' ' 107' ' ' GLY . 18.5 Cg_endo -75.0 171.26 18.68 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.571 1.827 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 52.0 66.67 2.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -157.42 -147.4 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 0.736 . . . . 0.0 109.245 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.634 ' N ' HD23 ' A' ' 79' ' ' LEU . 1.2 pt? -169.87 133.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.706 ' O ' HG12 ' A' ' 80' ' ' VAL . 40.8 t -114.22 63.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.501 ' OE2' HD12 ' A' ' 79' ' ' LEU . 38.9 mt-10 -77.12 133.21 39.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.58 157.77 8.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.531 ' HA ' ' CB ' ' A' ' 98' ' ' ASN . 18.3 Cg_endo -74.96 128.24 11.36 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.5 m -47.8 120.23 7.51 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 108.308 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.528 ' O ' ' CE1' ' A' ' 88' ' ' PHE . 18.3 Cg_endo -74.99 115.91 4.43 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 110.977 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.609 ' HB2' HG22 ' A' ' 91' ' ' ILE . 4.4 pt-20 -34.09 97.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER 175.92 36.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.528 ' CE1' ' O ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -123.54 -56.39 1.7 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.077 . . . . 0.0 110.944 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 179.45 37.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 159.55 103.09 0.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.609 HG22 ' HB2' ' A' ' 86' ' ' GLU . 3.9 pt -76.35 136.27 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.766 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 91' ' ' ILE . 0.4 OUTLIER 159.37 41.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.602 ' O ' ' CG ' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -77.7 52.59 1.02 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -118.94 -70.58 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.7 p -129.42 62.98 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.386 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 p -125.65 -79.05 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.17 . . . . 0.0 110.418 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -163.45 174.03 12.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.594 ' O ' ' CE1' ' A' ' 100' ' ' TYR . 7.1 p-10 -147.02 156.63 43.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.58 ' HB1' HG12 ' A' ' 113' ' ' VAL . . . -102.09 165.82 10.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.659 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -146.0 127.8 15.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.659 ' CG ' HG22 ' A' ' 113' ' ' VAL . 13.2 ttt180 -128.39 131.27 48.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -100.52 149.57 23.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.32 135.67 45.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 76' ' ' PRO . 1.2 tp -86.97 151.77 22.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.55 -0.17 16.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.55 -9.23 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.479 ' HA2' ' HB3' ' A' ' 76' ' ' PRO . . . 101.34 8.93 45.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.61 1.194 . . . . 0.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 109' ' ' TRP . 0.6 OUTLIER -135.52 174.09 10.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 110.415 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.578 ' CE3' ' HD3' ' A' ' 101' ' ' ARG . 63.6 m95 -77.2 -163.4 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 107.986 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.12 -107.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.35 -38.46 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.07 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -178.96 155.59 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.659 HG22 ' CG ' ' A' ' 101' ' ' ARG . 5.9 t -64.56 147.93 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.414 ' ND2' ' HB2' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -87.84 130.58 34.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.661 ' HE1' HD13 ' A' ' 67' ' ' ILE . 9.7 m-85 -125.49 66.64 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.568 ' C ' ' CG ' ' A' ' 117' ' ' HIS . 17.7 m -37.72 -52.36 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.568 ' CG ' ' C ' ' A' ' 116' ' ' SER . 0.7 OUTLIER -161.98 39.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.596 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.1 t -94.23 -49.54 5.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.258 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.492 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER -58.12 -51.92 78.31 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.3 Cg_endo -75.05 61.59 5.74 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.799 . . . . 0.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.3 tt -80.51 160.89 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.84 138.97 49.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -177.24 92.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.232 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -169.58 92.41 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -145.21 60.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -109.75 178.28 4.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 63.02 138.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.433 1.083 . . . . 0.0 110.349 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -167.11 70.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 129' ' ' TYR . 16.6 p90 -86.97 143.86 27.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 171.89 139.97 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 68.76 177.32 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.477 ' O ' ' C ' ' A' ' 133' ' ' TYR . 0.5 OUTLIER -138.27 108.09 6.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.477 ' C ' ' O ' ' A' ' 132' ' ' HIS . 5.4 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.4 p 179.59 157.78 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 0.788 . . . . 0.0 110.008 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.79 -139.96 5.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.25 131.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.45 0.735 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.39 166.5 3.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.62 1.2 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 21' ' ' THR . 1.6 pt-20 -177.95 -174.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -160.05 -51.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.447 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 21' ' ' THR . . . 69.39 -169.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.83 -54.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 59.01 -110.88 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -58.43 143.72 44.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.598 1.186 . . . . 0.0 109.355 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -85.81 -173.23 4.5 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.59 167.19 22.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -138.63 170.44 16.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -78.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.579 ' CE1' ' SD ' ' A' ' 31' ' ' MET . 0.0 OUTLIER 78.51 171.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.646 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.579 ' SD ' ' CE1' ' A' ' 30' ' ' HIS . 36.1 mtt 55.59 73.1 0.44 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.56 121.84 38.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.595 1.184 . . . . 0.0 109.243 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -127.48 154.17 77.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -162.17 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.049 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -109.58 146.57 34.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.96 -76.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.23 90.79 2.14 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.8 p -64.22 -10.73 25.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 0.809 . . . . 0.0 110.331 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 53.9 m -158.05 134.14 9.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.393 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.611 HD23 ' H ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -63.45 -40.46 97.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 72.21 5.67 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.241 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 44' ' ' TYR . 1.7 mt-10 -110.13 9.26 24.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' GLU . 2.1 mp0 37.85 -97.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.3 m-85 -85.94 -56.73 3.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.623 ' CB ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -179.53 113.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 108.267 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' THR . 1.7 t-160 -162.05 147.71 13.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.582 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.64 ' C ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -78.12 -68.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.64 HG22 ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 166.45 -39.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.413 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p 41.27 63.82 1.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.388 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.502 HG22 ' HA2' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -60.51 140.76 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.22 -101.97 0.55 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.58 1.175 . . . . 0.0 111.067 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -157.43 30.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -176.17 -177.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 p -39.28 117.89 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.502 ' HA2' HG22 ' A' ' 50' ' ' ILE . . . -64.18 -141.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 57' ' ' TYR . 18.6 Cg_endo -74.88 -67.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.491 1.785 . . . . 0.0 111.026 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.578 ' HB2' ' CE2' ' A' ' 59' ' ' TYR . 5.1 p90 -53.46 -169.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 58' ' ' THR . 10.9 m -152.62 34.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.373 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 57' ' ' TYR . 3.5 p90 -126.33 -178.53 4.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.414 ' O ' ' O ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -92.01 138.52 31.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.297 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.438 ' CB ' ' HD2' ' A' ' 47' ' ' ARG . 6.3 t30 -120.63 -167.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 1.2 m -73.2 127.97 34.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -166.81 174.83 8.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 110.446 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.623 HD23 ' CB ' ' A' ' 45' ' ' CYS . 3.0 pp -119.38 128.16 53.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.437 ' HB2' ' CD1' ' A' ' 71' ' ' TRP . 18.6 t0 -78.97 179.36 7.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -57.26 -21.81 36.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.244 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.499 ' O ' ' C ' ' A' ' 68' ' ' GLY . 2.1 pt -93.12 37.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.499 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 29.68 42.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.592 ' O ' ' CD1' ' A' ' 71' ' ' TRP . 39.1 m -107.4 107.57 18.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.783 . . . . 0.0 110.434 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.45 110.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 108.222 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.644 ' CE3' HG11 ' A' ' 80' ' ' VAL . 96.7 m95 -101.84 127.63 30.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 156.59 43.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.5 154.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -159.99 171.81 18.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.991 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.487 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -97.94 163.98 18.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.487 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.5 Cg_endo -74.95 146.57 33.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.538 1.809 . . . . 0.0 111.064 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.53 26.57 68.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.26 -150.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.74 111.68 2.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.237 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.89 HG21 ' CH2' ' A' ' 109' ' ' TRP . 70.7 t -102.58 50.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.489 ' CB ' ' HA ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -83.84 140.13 32.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.775 ' HG3' ' HB3' ' A' ' 99' ' ' ALA . 11.4 ptp180 -171.44 88.84 0.46 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 84' ' ' CYS . 18.2 Cg_endo -74.98 -165.93 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.539 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -37.73 -59.52 1.1 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.306 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.539 ' HD3' ' CB ' ' A' ' 84' ' ' CYS . 18.2 Cg_endo -75.03 165.17 31.82 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.449 1.763 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 87' ' ' TYR . 0.6 OUTLIER -164.69 62.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 86' ' ' GLU . 70.2 t80 178.53 -47.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.559 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 2.7 p90 -126.95 -47.4 1.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 88' ' ' PHE . 5.5 t-20 87.38 -25.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.36 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.845 ' O ' HD13 ' A' ' 91' ' ' ILE . . . -38.37 -26.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.142 . . . . 0.0 111.027 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.845 HD13 ' O ' ' A' ' 90' ' ' GLY . 3.8 mm -145.5 -132.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 0.799 . . . . 0.0 109.324 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.862 ' HG3' HD12 ' A' ' 121' ' ' ILE . 0.7 OUTLIER -126.24 176.05 7.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.442 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER -116.52 -172.67 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -100.12 -15.91 18.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.411 HG22 ' HD2' ' A' ' 97' ' ' ARG . 54.5 m -89.89 162.76 15.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.538 ' O ' HG22 ' A' ' 96' ' ' THR . 2.9 m -125.57 70.52 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.411 ' HD2' HG22 ' A' ' 95' ' ' THR . 4.2 mpt_? -135.92 54.83 1.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.539 ' OD1' ' CG ' ' A' ' 115' ' ' TYR . 3.1 p30 -61.83 156.08 21.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.775 ' HB3' ' HG3' ' A' ' 82' ' ' ARG . . . -171.34 169.73 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.489 ' HA ' ' CB ' ' A' ' 81' ' ' GLU . 0.2 OUTLIER 171.97 52.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.759 ' HB3' HG13 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -101.78 -164.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 2.8 pt-20 -151.91 140.07 20.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.02 138.47 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 108.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.21 156.89 36.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.24 1.71 17.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.41 1.26 41.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.78 36.66 18.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.138 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 70.0 p -128.69 139.94 51.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.89 ' CH2' HG21 ' A' ' 80' ' ' VAL . 48.1 m95 -56.9 -171.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.034 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 102' ' ' GLU . . . -99.74 -175.19 2.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.38 -55.74 3.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.023 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -147.81 122.41 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.252 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.759 HG13 ' HB3' ' A' ' 101' ' ' ARG . 22.1 t -74.93 160.22 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.531 ' C ' ' CD2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -123.2 156.03 35.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.539 ' CG ' ' OD1' ' A' ' 98' ' ' ASN . 0.3 OUTLIER -173.1 89.15 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.432 ' O ' ' CG ' ' A' ' 120' ' ' PRO . 0.6 OUTLIER -121.85 1.8 9.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.419 1.075 . . . . 0.0 110.008 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.52 14.92 8.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.566 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.54 -74.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 108.25 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.477 ' CB ' ' HD3' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -46.45 -56.01 12.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 119' ' ' GLU . 18.1 Cg_endo -75.02 129.19 12.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.403 1.738 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.862 HD12 ' HG3' ' A' ' 92' ' ' LYS . 1.4 tt -108.0 146.35 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.46 -172.28 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.25 137.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.75 127.61 21.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -179.76 57.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -84.1 123.9 30.55 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.436 1.085 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.91 129.11 11.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.189 . . . . 0.0 110.305 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -159.41 -60.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.454 ' CG ' ' N ' ' A' ' 130' ' ' ASP . 44.1 t80 53.99 168.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 129' ' ' TYR . 1.5 p-10 178.73 142.33 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.1 tp -124.59 -114.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 69.33 141.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.547 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 7.5 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.2 m -99.86 75.9 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 110.062 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 18' ' ' MET . . . -166.14 -105.49 0.19 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.561 1.163 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.486 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 10.6 ttt 80.85 -59.41 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 0.752 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.02 -77.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 18' ' ' MET . 0.0 OUTLIER 48.18 84.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.6 m -135.08 128.21 31.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -172.98 168.06 4.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.57 -59.82 0.41 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 109.181 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 53.69 177.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.603 1.189 . . . . 0.0 109.321 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -144.38 134.2 23.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -159.1 172.16 18.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.981 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -144.06 143.86 31.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 1.179 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -142.83 106.09 4.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.08 -43.54 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.02 174.79 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.575 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 60.11 120.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.94 167.39 19.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.7 m -83.39 158.4 63.56 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -162.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.46 1.768 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.22 124.23 44.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.366 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -178.65 70.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 38' ' ' THR . . . -41.82 -72.87 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 110.94 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.594 ' O ' ' CB ' ' A' ' 39' ' ' THR . 13.5 m 34.3 90.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 110.365 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.594 ' CB ' ' O ' ' A' ' 38' ' ' THR . 3.1 m 90.09 -132.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 44.81 -163.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.86 22.81 3.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 44' ' ' TYR . 11.1 mp0 54.31 59.22 4.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.541 ' O ' ' CG ' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -63.6 76.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.541 ' CG ' ' O ' ' A' ' 43' ' ' GLN . 65.2 m-85 -165.36 154.14 11.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.4 m 77.62 98.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 108.271 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.463 ' CD2' HE22 ' A' ' 73' ' ' GLN . 54.3 t-80 -136.49 160.53 38.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.663 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.506 ' CG ' ' N ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -83.11 -93.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.529 ' O ' ' C ' ' A' ' 49' ' ' THR . 14.3 t -176.28 -35.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.529 ' C ' ' O ' ' A' ' 48' ' ' THR . 9.5 t -27.7 125.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.397 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.49 ' CG2' ' O ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER 58.16 114.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.79 -120.35 1.03 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -112.86 -29.76 7.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.49 ' O ' ' CG2' ' A' ' 50' ' ' ILE . 1.3 m-85 -134.08 170.4 15.71 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.414 ' O ' HG22 ' A' ' 50' ' ' ILE . 0.3 OUTLIER 73.25 -175.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.08 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.7 167.38 33.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -74.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 110.94 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.459 ' CE1' ' CD1' ' A' ' 59' ' ' TYR . 23.2 p90 -72.78 162.6 29.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 58' ' ' THR . 12.0 t -93.07 92.28 7.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.5 ' CZ ' HG21 ' A' ' 49' ' ' THR . 40.7 p90 -102.81 166.84 10.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' TYR . 10.9 m -41.17 134.09 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.451 ' HA ' ' CG ' ' A' ' 73' ' ' GLN . 24.7 t30 -96.64 172.78 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.172 . . . . 0.0 109.301 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 t -87.25 130.73 34.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.462 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -166.66 176.21 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.64 ' CD2' ' O ' ' A' ' 68' ' ' GLY . 14.3 mt -117.48 152.51 34.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.23 -153.19 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.354 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -47.55 -28.55 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.547 ' C ' ' H ' ' A' ' 69' ' ' THR . 0.5 OUTLIER -110.49 110.08 30.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.08 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.64 ' O ' ' CD2' ' A' ' 64' ' ' LEU . . . -50.92 -7.21 0.16 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.17 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.547 ' H ' ' C ' ' A' ' 67' ' ' ILE . 14.7 m -62.25 72.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 110.444 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' A' ' 68' ' ' GLY . 0.6 OUTLIER -38.73 127.98 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.455 ' HH2' ' HB3' ' A' ' 99' ' ' ALA . 49.8 m95 -101.61 115.88 64.31 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 75.14 3.78 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.463 HE22 ' CD2' ' A' ' 46' ' ' HIS . 1.1 mt-30 52.61 172.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.583 ' OG ' ' CZ2' ' A' ' 109' ' ' TRP . 3.6 m -159.37 -157.82 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.7 152.88 80.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.36 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.427 ' HB3' ' N ' ' A' ' 107' ' ' GLY . 18.4 Cg_endo -74.94 139.82 24.91 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.538 1.81 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.47 20.54 77.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.557 1.161 . . . . 0.0 111.059 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.788 ' C ' HD13 ' A' ' 79' ' ' LEU . . . -126.08 157.89 36.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.789 HD13 ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -123.71 110.8 15.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.589 ' O ' HG12 ' A' ' 80' ' ' VAL . 75.6 t -68.59 63.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 109.222 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 79' ' ' LEU . 4.6 pt-20 -76.4 130.31 37.85 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.398 1.061 . . . . 0.0 110.32 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' A' ' 98' ' ' ASN . 0.0 OUTLIER -132.24 82.04 59.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 85' ' ' PRO . 18.5 Cg_endo -75.01 109.6 2.96 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.47 1.773 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.616 ' O ' ' CZ ' ' A' ' 88' ' ' PHE . 1.7 p -37.31 98.62 0.16 Allowed Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.452 1.095 . . . . 0.0 108.35 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.517 ' HB3' HD12 ' A' ' 91' ' ' ILE . 18.4 Cg_endo -75.0 7.95 2.64 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.388 1.73 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 88' ' ' PHE . 3.0 mt-10 -34.84 153.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.428 ' O ' ' O ' ' A' ' 89' ' ' ASN . 27.8 t80 -36.52 -47.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.641 ' CD1' ' N ' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -41.45 -38.04 1.19 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.641 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 1.7 t-20 -82.23 162.56 22.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.1 48.67 3.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.517 HD12 ' HB3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -162.22 151.72 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.333 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.509 ' N ' HD13 ' A' ' 91' ' ' ILE . 12.8 pttt -82.25 118.62 23.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.464 ' HB3' ' C ' ' A' ' 85' ' ' PRO . 47.6 p90 -81.33 150.94 28.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -119.33 -54.27 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.339 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.4 t -91.32 -174.71 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 96' ' ' THR . 12.6 t -133.47 48.1 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.401 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 53.5 mtt85 -149.75 109.53 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.252 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.705 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 1.8 p-10 -111.88 166.69 10.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.397 1.061 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 98' ' ' ASN . . . 162.46 -174.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.496 ' CD1' ' C ' ' A' ' 99' ' ' ALA . 22.5 m-85 -154.42 106.44 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -124.73 143.21 50.89 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 79' ' ' LEU . 12.5 pt-20 -110.22 152.97 25.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 110.222 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.31 132.64 48.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 108.3 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 47.8 mt -66.06 168.69 7.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -79.52 1.24 26.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.357 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.9 -2.77 49.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.427 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 82.45 33.06 26.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 67.4 p -123.11 162.91 21.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 0.73 . . . . 0.0 110.363 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.583 ' CZ2' ' OG ' ' A' ' 74' ' ' SER . 23.5 m95 -80.83 -171.71 3.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 107.975 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.0 -156.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.36 -66.4 0.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -177.78 163.61 1.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.634 1.209 . . . . 0.0 110.278 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.65 ' CG2' ' HB1' ' A' ' 99' ' ' ALA . 1.4 p -39.34 145.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.06 -56.93 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 53.02 93.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.423 1.077 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.1 -82.52 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.977 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.481 ' CB ' ' HG2' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -159.31 62.1 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.529 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.457 ' SG ' ' ND2' ' A' ' 98' ' ' ASN . 0.1 OUTLIER -52.39 -64.39 0.83 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 108.335 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.52 ' CB ' ' HD3' ' A' ' 120' ' ' PRO . 0.5 OUTLIER -57.61 -58.1 20.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.52 ' HD3' ' CB ' ' A' ' 119' ' ' GLU . 18.3 Cg_endo -75.07 58.51 4.96 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.28 146.68 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.85 119.68 39.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 124' ' ' ASP . 3.8 p30 -127.93 152.9 47.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 123' ' ' ASP . 0.3 OUTLIER 78.04 100.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -68.64 166.76 16.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -104.72 162.02 13.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.127 . . . . 0.0 110.296 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.92 138.91 42.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.61 177.14 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -90.95 170.36 10.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.945 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.52 155.4 39.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.8 pp -155.78 169.0 25.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.09 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 76.25 151.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.628 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 4.3 t80 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.17 . . . . 0.0 110.975 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.6 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.488 ' C ' ' CD1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -79.12 167.74 20.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.2 m -66.01 148.72 51.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 108.28 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -114.71 163.3 15.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.369 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.42 ' N ' ' HG3' ' A' ' 73' ' ' GLN . 2.5 m -62.68 126.18 26.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -158.42 159.4 35.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 0.0 110.449 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.69 ' O ' HD12 ' A' ' 64' ' ' LEU . 4.0 pp -132.52 126.36 32.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.364 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.441 ' C ' ' N ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -95.48 -160.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' ASP . 17.0 mp0 -38.83 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.39 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.967 HD13 HG12 ' A' ' 113' ' ' VAL . 5.2 mp -89.46 102.7 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -35.53 -42.52 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.687 ' HB ' HG22 ' A' ' 67' ' ' ILE . 1.8 m -46.29 109.79 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.754 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.2 p -82.61 143.22 31.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 108.344 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.511 ' HH2' ' HB3' ' A' ' 99' ' ' ALA . 21.2 m95 -110.67 141.78 24.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.036 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.98 143.36 29.04 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.545 1.813 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -36.17 150.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.395 1.059 . . . . 0.0 110.279 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -143.0 -171.52 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.31 153.52 37.7 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 147.35 33.63 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.76 5.78 70.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.79 -157.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.9 132.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.739 ' O ' HG12 ' A' ' 80' ' ' VAL . 40.2 t -103.52 59.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.62 143.32 26.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.343 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 1.046 ' HB1' ' CG2' ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -148.61 102.39 3.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.4 125.62 31.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.534 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 1.2 pt-20 -100.88 154.13 18.92 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 108' ' ' THR . 0.1 OUTLIER -117.52 117.08 28.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 108.256 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.1 mt -59.06 165.16 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.237 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -77.8 1.4 20.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.66 -2.73 40.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.14 49.93 4.78 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 103' ' ' CYS . 66.2 p -140.44 156.2 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 0.81 . . . . 0.0 110.36 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -82.84 -171.46 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.604 1.19 . . . . 0.0 107.977 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.534 ' HB2' ' HG3' ' A' ' 102' ' ' GLU . . . -99.35 -168.23 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -58.64 7.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -174.01 137.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 1.046 ' CG2' ' HB1' ' A' ' 99' ' ' ALA . 2.3 p . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 58' ' ' THR . 3.3 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.485 ' CD2' ' O ' ' A' ' 74' ' ' SER . 0.2 OUTLIER -119.0 174.08 6.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 96.8 m -88.5 150.16 23.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.308 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -106.47 160.65 15.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 1.8 m -71.51 122.11 19.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.399 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 m -143.39 152.93 42.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.427 1.08 . . . . 0.0 110.36 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.641 ' O ' HD12 ' A' ' 64' ' ' LEU . 4.2 pp -116.54 134.69 54.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.491 ' OD2' HG23 ' A' ' 113' ' ' VAL . 22.0 t0 -96.86 -178.01 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -64.83 -11.4 36.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.274 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 69' ' ' THR . 4.8 mt -102.49 38.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 34.79 37.9 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 67' ' ' ILE . 1.1 p -88.33 92.89 9.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 110.394 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.12 93.51 8.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.072 . . . . 0.0 108.254 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.408 ' O ' ' HA ' ' A' ' 62' ' ' THR . 68.7 m95 -88.67 113.41 55.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.008 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.471 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.03 81.5 2.21 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.812 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER 53.33 169.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.485 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 64.7 m -169.96 -173.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.929 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.03 157.42 52.96 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.49 31.51 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.584 1.834 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 57.91 49.36 75.41 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.578 1.174 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.835 ' O ' HD22 ' A' ' 79' ' ' LEU . . . -125.72 -161.39 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 0.796 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.835 HD22 ' O ' ' A' ' 78' ' ' ALA . 1.1 mm? -142.71 110.44 5.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.762 ' O ' HG12 ' A' ' 80' ' ' VAL . 54.0 t -110.16 49.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -102.84 161.97 13.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 82' ' ' ARG . 3.7 ptp180 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.57 ' CD2' ' HB2' ' A' ' 81' ' ' GLU . 1.2 t80 -134.34 109.09 8.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.665 ' CG ' HG13 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -128.89 134.6 48.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -120.09 153.02 36.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 108' ' ' THR . 0.1 OUTLIER -112.92 113.5 25.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 108.282 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.04 171.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -78.23 1.29 22.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -98.15 -2.66 39.41 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.48 31.83 32.54 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 103' ' ' CYS . 64.6 p -113.35 174.1 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 0.798 . . . . 0.0 110.371 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.681 ' HH2' HG21 ' A' ' 80' ' ' VAL . 6.9 m95 -100.98 -175.63 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.519 ' HB3' HH11 ' A' ' 101' ' ' ARG . . . -93.85 -156.44 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.6 p -111.35 -45.35 3.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 0.0 110.024 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.74 132.76 33.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.665 HG13 ' CG ' ' A' ' 101' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.5 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.53 164.21 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' SER . 6.5 m -53.08 161.6 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -108.03 170.81 7.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.479 ' O ' ' CB ' ' A' ' 63' ' ' THR . 6.4 t -102.23 136.22 42.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.376 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.479 ' CB ' ' O ' ' A' ' 62' ' ' THR . 0.6 OUTLIER 168.18 160.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.765 ' C ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -120.09 141.4 49.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.85 35.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.358 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.473 ' NE2' ' CZ ' ' A' ' 101' ' ' ARG . 2.9 mp0 -123.9 -77.25 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -140.14 37.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.86 -36.83 3.31 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.457 1.098 . . . . 0.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.3 m -55.65 112.94 1.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.747 . . . . 0.0 110.437 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.56 139.72 37.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 108.321 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.412 ' CD2' ' HD3' ' A' ' 101' ' ' ARG . 1.0 OUTLIER -117.53 115.6 37.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 108.024 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.45 ' HA ' ' OG1' ' A' ' 62' ' ' THR . 18.0 Cg_endo -74.96 151.27 39.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.773 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 72' ' ' PRO . 7.2 mt-30 -36.82 152.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.262 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' CYS . 0.7 OUTLIER -156.4 168.3 27.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.31 154.45 90.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.12 37.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.568 1.825 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.89 59.59 9.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.413 1.071 . . . . 0.0 110.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.34 -165.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 0.721 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.79 104.23 5.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.391 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.769 ' O ' HG12 ' A' ' 80' ' ' VAL . 22.9 t -96.0 61.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.479 ' CB ' ' HA ' ' A' ' 100' ' ' TYR . 14.6 pt-20 -98.49 156.59 16.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 82' ' ' ARG . 3.9 ptp180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.764 ' HB1' ' CG2' ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -139.98 145.21 37.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.473 ' CZ ' ' NE2' ' A' ' 66' ' ' GLN . 1.9 mtp85 -136.24 80.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.355 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.29 146.98 53.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.31 136.1 50.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.424 1.077 . . . . 0.0 108.265 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.5 mt -74.09 157.81 35.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -76.92 1.13 18.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.07 -1.61 54.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.07 43.69 8.02 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.0 p -129.99 170.38 14.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 0.772 . . . . 0.0 110.469 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.734 ' HH2' HG21 ' A' ' 80' ' ' VAL . 6.9 m95 -90.07 -171.35 3.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 107.974 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.36 -142.21 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.08 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 m -94.07 -80.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.938 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.717 ' O ' HG12 ' A' ' 113' ' ' VAL . 9.2 ptt180 -158.11 47.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.764 ' CG2' ' HB1' ' A' ' 99' ' ' ALA . 7.4 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 58' ' ' THR . 43.2 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -117.53 169.52 9.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.074 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.7 m -58.61 133.75 56.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 108.284 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -85.99 -172.06 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 13.9 t -100.77 134.85 43.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.46 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 t -174.69 151.59 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.362 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.811 ' O ' HD12 ' A' ' 64' ' ' LEU . 1.6 pp -120.45 117.33 27.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -84.34 -151.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -56.87 -16.66 7.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.503 ' CG2' ' HB ' ' A' ' 69' ' ' THR . 1.9 mm -99.05 105.37 17.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -33.26 -49.87 0.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.566 1.166 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.645 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -35.98 98.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 110.404 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.665 ' HB2' HD23 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -82.53 143.76 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.367 1.042 . . . . 0.0 108.332 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.69 ' CZ2' HG21 ' A' ' 113' ' ' VAL . 1.0 OUTLIER -115.85 109.94 44.68 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 108.004 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 82.31 2.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.474 1.776 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 72' ' ' PRO . 5.3 tm0? 59.2 148.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 73' ' ' GLN . 0.9 OUTLIER -154.54 168.37 26.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.026 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.58 151.06 55.2 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 77' ' ' GLY . 18.3 Cg_endo -74.95 158.0 42.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.444 1.76 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 76' ' ' PRO . . . 35.61 45.45 0.74 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.35 2.89 14.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 109.251 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.414 ' CD2' ' HG3' ' A' ' 102' ' ' GLU . 3.0 mm? 39.96 89.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.587 ' O ' HG12 ' A' ' 80' ' ' VAL . 76.7 t -84.9 61.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.367 1.042 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -78.05 167.52 21.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.895 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.792 ' C ' HG23 ' A' ' 113' ' ' VAL . 8.9 m-85 -127.67 129.33 46.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.57 ' HD3' ' CH2' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -126.77 82.87 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.351 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.414 ' HG3' ' CD2' ' A' ' 79' ' ' LEU . 32.8 tt0 -72.26 146.36 47.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.362 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.598 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -127.18 144.06 51.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.285 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 mt -89.92 156.47 18.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -76.39 0.6 19.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.67 -0.99 53.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.11 56.97 2.91 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.459 1.1 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 76.7 p -147.83 164.15 34.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 0.762 . . . . 0.0 110.444 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.598 ' CZ3' ' SG ' ' A' ' 103' ' ' CYS . 4.9 m95 -92.74 -179.78 5.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 108.018 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.04 -154.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -76.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.25 143.89 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.895 HG22 ' HB1' ' A' ' 99' ' ' ALA . 7.3 p . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -105.55 152.95 22.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 86.0 m -42.47 148.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.29 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -104.12 172.6 6.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 4.5 t -88.61 130.56 35.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.42 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 t -174.73 164.64 3.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.522 ' O ' HD12 ' A' ' 64' ' ' LEU . 2.0 pp -126.33 119.56 27.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.462 ' OD2' HD12 ' A' ' 67' ' ' ILE . 4.3 p-10 -90.37 -169.36 2.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.232 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' ASP . 49.0 tt0 -37.39 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.881 HD13 HG12 ' A' ' 113' ' ' VAL . 4.2 mp -91.05 103.61 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -31.75 -39.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.654 ' HB ' HG22 ' A' ' 67' ' ' ILE . 1.4 m -43.04 94.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' GLY . 8.0 t -82.93 154.73 24.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 108.259 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.593 ' CZ3' HG12 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -126.25 118.38 23.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 108.005 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.97 72.58 4.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.962 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.407 ' HG2' ' N ' ' A' ' 74' ' ' SER . 5.7 tm0? 59.86 146.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.326 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.455 ' OG ' ' CZ2' ' A' ' 109' ' ' TRP . 1.2 m -144.47 172.34 13.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.66 150.89 41.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 147.48 34.22 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.577 1.83 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 38.64 39.04 0.76 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.88 2.08 23.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.408 HD13 ' HB3' ' A' ' 102' ' ' GLU . 0.7 OUTLIER 54.71 98.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.669 ' O ' HG12 ' A' ' 80' ' ' VAL . 53.4 t -95.09 60.72 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.588 ' CG ' ' CD2' ' A' ' 100' ' ' TYR . 0.8 OUTLIER -79.47 144.36 34.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.173 . . . . 0.0 110.245 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.882 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 5.1 ptp180 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 82' ' ' ARG . . . . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.588 ' CD2' ' CG ' ' A' ' 81' ' ' GLU . 53.8 m-85 -153.34 136.36 15.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.994 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.583 ' HG3' ' CZ2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -140.51 38.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -35.31 126.29 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.605 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 1.0 OUTLIER -90.29 148.9 22.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 108.276 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.4 mp -86.43 150.35 24.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.081 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -77.46 1.65 18.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -96.82 2.69 52.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 79.19 45.2 9.05 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.5 p -134.81 157.13 47.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.741 . . . . 0.0 110.384 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.625 ' HH2' HG11 ' A' ' 80' ' ' VAL . 0.4 OUTLIER -77.82 -169.39 1.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 107.975 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.57 -167.38 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.227 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 p -87.21 -43.02 12.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.986 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -168.59 158.34 9.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.881 HG12 HD13 ' A' ' 67' ' ' ILE . 9.9 p . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.2 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.473 ' CB ' ' HD3' ' A' ' 76' ' ' PRO . 10.3 p90 -121.94 170.95 9.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HB2' ' CA ' ' A' ' 74' ' ' SER . 8.6 m -40.39 146.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 108.296 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -112.28 171.04 7.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 8.8 t -88.2 129.72 35.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 110.38 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -171.5 158.9 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.364 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 pp -100.58 147.14 26.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.43 ' OD2' ' NH1' ' A' ' 101' ' ' ARG . 1.5 t70 -105.52 -152.85 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.397 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.47 -7.18 59.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.766 HD12 ' CG1' ' A' ' 113' ' ' VAL . 3.6 mt -104.13 37.6 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.347 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 31.9 45.87 0.19 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.432 ' O ' ' CG2' ' A' ' 69' ' ' THR . 5.2 t -124.68 114.92 19.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.28 104.25 14.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.556 1.16 . . . . 0.0 108.303 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.55 ' CZ3' HG12 ' A' ' 80' ' ' VAL . 67.6 m95 -79.23 128.63 75.13 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 107.992 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.01 74.9 3.86 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 62' ' ' THR . 4.7 mt-30 54.2 167.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.49 ' OG ' ' CZ2' ' A' ' 109' ' ' TRP . 1.7 m -169.2 174.65 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.28 147.49 33.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 59' ' ' TYR . 18.4 Cg_endo -75.01 154.16 42.24 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.431 1.753 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 52.77 19.47 6.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.155 . . . . 0.0 111.059 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.04 -154.62 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 0.782 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.02 96.53 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.612 HG21 ' CH2' ' A' ' 109' ' ' TRP . 2.3 t -90.35 62.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 99' ' ' ALA . 0.4 OUTLIER -95.16 140.79 29.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.449 ' H ' ' HB3' ' A' ' 99' ' ' ALA . 69.4 mtt-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.449 ' HB3' ' H ' ' A' ' 82' ' ' ARG . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 35.3 p90 177.03 130.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.613 ' HG2' ' HB3' ' A' ' 110' ' ' ALA . 0.0 OUTLIER -140.26 66.59 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.248 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' ARG . 1.1 pm0 -37.25 122.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -86.27 121.77 29.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 108.298 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.3 mt -56.89 163.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.86 0.7 17.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.08 -2.68 42.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.94 36.86 17.45 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.403 ' O ' ' SG ' ' A' ' 103' ' ' CYS . 26.0 p -120.72 168.0 11.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 110.417 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.612 ' CH2' HG21 ' A' ' 80' ' ' VAL . 76.0 m95 -89.19 -172.03 3.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 108.049 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.613 ' HB3' ' HG2' ' A' ' 101' ' ' ARG . . . -99.39 -141.95 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.0 -46.19 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 110.001 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.48 117.05 32.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.766 ' CG1' HD12 ' A' ' 67' ' ' ILE . 10.9 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 58' ' ' THR . 54.1 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.554 ' CD1' ' HA ' ' A' ' 75' ' ' ALA . 87.5 t80 -172.65 143.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' SER . 4.5 m -74.85 131.23 40.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 108.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -113.9 164.25 14.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.465 ' CG2' ' SG ' ' A' ' 70' ' ' CYS . 71.8 m -69.62 118.26 12.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 110.372 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.67 158.46 44.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.178 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 pp -129.83 118.52 21.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.442 1.088 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -93.01 -152.94 0.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.605 1.191 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -47.64 -23.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.536 ' CG2' ' HB ' ' A' ' 69' ' ' THR . 3.2 mm -96.08 104.06 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -34.13 -49.21 0.62 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.536 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -38.77 112.0 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 0.738 . . . . 0.0 110.394 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.465 ' SG ' ' CG2' ' A' ' 62' ' ' THR . 0.1 OUTLIER -89.38 122.96 33.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.83 ' CZ2' HG21 ' A' ' 113' ' ' VAL . 58.0 m95 -92.46 141.9 25.3 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 108.017 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 71' ' ' TRP . 18.3 Cg_endo -75.05 149.94 37.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.57 1.826 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.453 ' N ' ' OG1' ' A' ' 62' ' ' THR . 0.0 OUTLIER -49.87 163.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.322 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.53 ' O ' ' CE1' ' A' ' 59' ' ' TYR . 16.6 m -165.92 -174.49 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -101.41 168.72 8.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.597 1.186 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.604 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.1 Cg_endo -75.06 147.27 33.48 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.0 29.82 76.39 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.444 1.09 . . . . 0.0 111.09 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.75 -148.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 0.727 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.734 HD12 ' HG2' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -171.76 83.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.613 1.196 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.72 ' O ' HG12 ' A' ' 80' ' ' VAL . 43.9 t -100.3 60.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.734 ' HG2' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -95.61 134.42 38.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 13.9 ptp180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.34 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.705 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.512 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -101.46 140.55 35.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 111.095 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.68 ' HG3' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -148.67 123.04 9.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -95.93 153.67 17.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 108' ' ' THR . 0.1 OUTLIER -111.83 122.08 46.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 108.302 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 mt -62.96 177.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.355 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.88 1.5 46.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.634 1.209 . . . . 0.0 110.231 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.52 -0.12 43.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.421 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 80.79 35.79 24.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 103' ' ' CYS . 66.2 p -118.5 168.29 10.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 0.781 . . . . 0.0 110.452 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.605 ' HH2' HG21 ' A' ' 80' ' ' VAL . 21.2 m95 -91.36 -173.54 3.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 108.011 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.55 -168.5 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 m -84.12 -59.98 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.981 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.89 131.33 32.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.83 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 3.0 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.546 0.212 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.468 ' O ' ' C ' ' A' ' 60' ' ' CYS . 18.1 p90 -76.73 171.2 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 59' ' ' TYR . 15.1 m -36.74 133.89 0.53 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 108.264 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.508 ' ND2' ' H ' ' A' ' 62' ' ' THR . 3.9 t30 -101.03 -173.25 2.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.071 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.508 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 10.9 t -97.94 136.0 38.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 t -176.38 158.92 1.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.182 . . . . 0.0 110.444 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 pp -110.25 175.51 5.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD2' ' NH2' ' A' ' 101' ' ' ARG . 2.2 t0 -121.57 -160.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -84.95 1.02 49.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 69' ' ' THR . 0.8 OUTLIER -115.55 38.34 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 35.47 49.35 0.94 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -114.25 85.55 2.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 110.413 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.0 t -72.19 118.46 15.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.278 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.765 ' CE3' HG11 ' A' ' 80' ' ' VAL . 54.0 m95 -111.43 121.18 40.91 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 108.042 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.1 Cg_endo -75.02 154.02 42.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.45 ' NE2' ' OD1' ' A' ' 61' ' ' ASN . 4.1 mt-30 -37.62 150.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.392 1.058 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -158.07 170.42 22.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.021 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.405 ' O ' ' SG ' ' A' ' 60' ' ' CYS . . . -78.2 154.56 79.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' A' ' 59' ' ' TYR . 18.2 Cg_endo -75.0 149.43 36.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.64 21.06 78.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.146 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.55 -161.62 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.66 107.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.377 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.765 HG11 ' CE3' ' A' ' 71' ' ' TRP . 49.0 t -86.15 53.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.506 ' O ' ' CG ' ' A' ' 82' ' ' ARG . 6.2 mt-10 -78.73 146.37 33.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.59 ' NH2' HG13 ' A' ' 80' ' ' VAL . 24.5 mtt-85 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.399 1.062 . . . . 0.0 110.279 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 82' ' ' ARG . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.435 ' CB ' ' O ' ' A' ' 99' ' ' ALA . 0.1 OUTLIER 166.93 59.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.63 ' HG3' HG22 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -96.22 169.83 9.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.241 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -131.87 153.0 50.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.363 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.58 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -117.72 128.98 55.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.318 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.55 ' HB2' HG23 ' A' ' 108' ' ' THR . 6.6 mt -70.18 163.92 25.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.429 1.081 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -80.83 1.39 30.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.233 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.57 -0.43 45.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.76 53.91 3.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.55 HG23 ' HB2' ' A' ' 104' ' ' LEU . 0.6 OUTLIER -146.3 175.05 10.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.341 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.58 ' CZ3' ' SG ' ' A' ' 103' ' ' CYS . 89.4 m95 -108.64 -171.2 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 108.001 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.06 179.36 4.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.343 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.1 m -58.49 -50.37 73.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.092 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -160.42 155.82 25.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.428 1.08 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.63 HG22 ' HG3' ' A' ' 101' ' ' ARG . 2.5 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 58' ' ' THR . 53.2 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.501 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 7.9 p90 -130.76 146.56 52.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' SER . 5.8 m -50.26 131.35 23.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -105.65 165.29 11.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 52.4 m -64.75 119.96 11.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.0 m -143.61 136.09 27.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -146.77 165.27 30.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.642 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -169.42 -160.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' ASP . 1.6 mm-40 -36.59 -54.26 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.572 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -133.85 59.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.615 ' O ' ' CD1' ' A' ' 71' ' ' TRP . . . -99.08 -2.99 56.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.726 ' CG2' ' CZ2' ' A' ' 71' ' ' TRP . 3.0 t 38.49 28.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 68' ' ' GLY . 0.6 OUTLIER 50.02 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 108.272 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.726 ' CZ2' ' CG2' ' A' ' 69' ' ' THR . 88.4 m95 -98.61 110.5 57.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 108.0 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.1 Cg_endo -74.98 148.81 35.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -39.0 159.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' CYS . 1.1 m -164.75 -174.77 3.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.04 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.65 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -100.73 169.31 8.02 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.65 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -74.99 154.65 42.71 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.435 1.755 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 60.8 47.56 90.59 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.568 1.168 . . . . 0.0 111.12 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -126.86 125.05 40.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.08 85.72 7.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.737 ' O ' HG12 ' A' ' 80' ' ' VAL . 41.2 t -75.26 59.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -91.69 141.82 28.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.674 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 99' ' ' ALA . 22.9 m-85 -143.23 139.42 30.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -136.01 127.52 28.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -110.65 145.92 37.11 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.3 OUTLIER -120.74 112.91 19.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.3 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.2 mt -56.88 178.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -83.39 1.39 41.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.83 1.63 40.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.58 23.02 61.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.0 p -105.4 151.37 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.466 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.669 ' HH2' HG21 ' A' ' 80' ' ' VAL . 10.6 m95 -75.07 -171.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.93 -151.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.2 p -85.35 -71.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.93 150.31 49.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.674 HG22 ' HB1' ' A' ' 99' ' ' ALA . 9.3 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 58' ' ' THR . 22.2 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CD2' ' O ' ' A' ' 74' ' ' SER . 0.8 OUTLIER -80.78 169.47 17.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.0 m -81.96 153.87 26.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 108.266 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -102.08 170.1 8.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.23 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.9 t -95.56 141.82 28.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -173.11 158.89 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.361 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 pp -96.15 162.58 13.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -110.58 -157.63 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.0 -10.97 59.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.321 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 68' ' ' GLY . 5.6 pt -101.69 38.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.341 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 33.23 45.64 0.3 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.546 1.154 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.42 ' O ' ' CD1' ' A' ' 71' ' ' TRP . 60.8 m -119.19 109.41 15.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.53 122.69 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 108.354 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.538 ' CZ3' HG12 ' A' ' 80' ' ' VAL . 60.8 m95 -103.96 122.9 42.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -75.05 143.28 28.7 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.444 1.76 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.544 ' NE2' ' H ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -38.06 152.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.584 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 11.4 m -151.28 -170.93 3.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . . . -95.27 156.22 37.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.87 42.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 111.036 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.02 50.81 61.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.859 ' O ' HD22 ' A' ' 79' ' ' LEU . . . -121.36 -164.15 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 0.75 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.859 HD22 ' O ' ' A' ' 78' ' ' ALA . 1.7 mm? -140.31 100.46 3.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.652 HG21 ' HH2' ' A' ' 109' ' ' TRP . 58.2 t -101.24 53.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.455 ' CB ' ' HA ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -98.57 130.74 45.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.356 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 99' ' ' ALA . 4.3 mmt180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.82 ' HB1' HG21 ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.604 ' H ' HG22 ' A' ' 113' ' ' VAL . 46.1 m-85 -148.76 106.12 3.64 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.476 ' HG3' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -135.09 126.79 29.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.241 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.37 157.19 21.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.7 125.99 53.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.585 1.178 . . . . 0.0 108.255 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.1 162.64 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.76 1.44 20.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -98.93 -0.17 42.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.37 40.03 14.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.409 1.068 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.8 p -127.8 163.63 23.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 0.786 . . . . 0.0 110.369 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.652 ' HH2' HG21 ' A' ' 80' ' ' VAL . 35.6 m95 -91.75 -172.44 3.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.35 -174.88 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.357 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.74 -42.65 73.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.958 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 175.56 127.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.82 HG21 ' HB1' ' A' ' 99' ' ' ALA . 2.4 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.1 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.579 ' CG ' ' O ' ' A' ' 74' ' ' SER . 1.4 m-85 -127.99 158.56 37.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' SER . 80.4 m -64.43 155.21 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 108.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.452 ' O ' ' CD1' ' A' ' 109' ' ' TRP . 20.7 t30 -88.84 155.24 19.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 15.4 t -80.38 147.34 31.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.45 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -179.96 160.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pp -101.34 176.4 5.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -123.16 176.47 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -62.05 -22.85 66.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.348 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.0 pt -97.24 38.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 42.27 26.75 0.38 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.792 HG22 ' NE1' ' A' ' 71' ' ' TRP . 30.9 m -88.58 105.76 17.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 110.422 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.88 151.03 45.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 108.284 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.792 ' NE1' HG22 ' A' ' 69' ' ' THR . 95.0 m95 -147.06 100.27 3.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.025 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -74.94 155.66 43.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.533 1.807 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 72' ' ' PRO . 4.2 mt-30 -34.93 149.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.579 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 1.8 m -156.05 -157.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.94 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.59 148.48 36.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 77' ' ' GLY . 18.1 Cg_endo -75.06 149.96 37.19 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.552 1.817 . . . . 0.0 110.965 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 76' ' ' PRO . . . 34.79 50.78 0.79 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 79' ' ' LEU . . . -113.14 -6.84 13.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 0.785 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.814 ' N ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER 47.57 100.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.849 HG13 ' O ' ' A' ' 80' ' ' VAL . 1.3 p -72.53 58.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -77.96 126.33 30.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.791 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.464 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 0.1 OUTLIER 169.69 110.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.383 1.052 . . . . 0.0 111.01 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.681 ' NE ' ' CE3' ' A' ' 109' ' ' TRP . 5.3 ptt180 -145.84 146.56 31.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HG3' HD22 ' A' ' 79' ' ' LEU . 49.7 tt0 -76.91 147.83 36.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.416 ' N ' ' HG2' ' A' ' 102' ' ' GLU . 0.5 OUTLIER -111.9 164.89 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 108.35 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.1 mt -91.01 151.18 21.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.6 -2.52 23.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.0 -0.53 44.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.63 48.32 4.52 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.404 ' O ' ' SG ' ' A' ' 103' ' ' CYS . 1.0 OUTLIER -138.88 147.76 42.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.415 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.681 ' CE3' ' NE ' ' A' ' 101' ' ' ARG . 96.4 m95 -76.97 -171.58 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 107.983 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.02 -135.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.1 p -99.55 -49.96 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.025 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.73 141.69 19.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.791 HG22 ' HB1' ' A' ' 99' ' ' ALA . 9.3 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -82.18 179.28 7.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 2.7 m -69.25 125.65 27.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.265 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -107.18 163.02 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.242 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 0.8 OUTLIER -56.25 123.63 15.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.6 m -152.38 160.44 43.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.88 126.4 48.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 67' ' ' ILE . 3.8 t70 -91.91 -170.63 2.61 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -39.48 -29.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.89 HD12 HG21 ' A' ' 69' ' ' THR . 20.8 pt -93.91 106.6 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -30.62 -42.18 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.89 HG21 HD12 ' A' ' 67' ' ' ILE . 9.7 t -36.2 96.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 0.794 . . . . 0.0 110.4 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 68' ' ' GLY . 8.9 t -52.5 168.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.272 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.921 ' CH2' HG21 ' A' ' 113' ' ' VAL . 21.1 m95 -134.91 128.19 18.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.01 139.22 24.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.55 1.816 . . . . 0.0 111.053 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.551 ' HG2' ' N ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -35.32 142.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.551 ' N ' ' HG2' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -138.97 177.24 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.8 160.92 25.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.41 ' HB3' ' N ' ' A' ' 107' ' ' GLY . 18.5 Cg_endo -74.92 147.02 33.73 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.445 1.761 . . . . 0.0 110.998 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.48 10.76 84.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.34 -165.7 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.472 HD12 ' HG2' ' A' ' 81' ' ' GLU . 3.8 pp -174.29 123.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.754 ' O ' HG12 ' A' ' 80' ' ' VAL . 25.1 t -99.55 62.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 109.219 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.472 ' HG2' HD12 ' A' ' 79' ' ' LEU . 18.8 pt-20 -78.49 129.43 34.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 99' ' ' ALA . 11.8 ptt180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.605 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -176.21 126.88 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.555 ' HG3' HG23 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -148.96 141.63 24.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -103.5 144.83 30.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.47 106.95 17.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.328 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.7 mt -53.33 165.73 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -77.04 1.21 18.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -99.94 -2.17 35.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.41 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 79.58 50.41 5.69 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.431 1.082 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 82.7 p -140.89 138.95 34.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 0.712 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' ' 101' ' ' ARG . 71.4 m95 -65.94 -171.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 107.961 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.44 -150.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.89 -43.83 5.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -141.78 143.71 33.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.921 HG21 ' CH2' ' A' ' 71' ' ' TRP . 4.0 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 58' ' ' THR . 22.6 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.928 ' CZ ' ' HB2' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -119.29 164.75 15.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 74' ' ' SER . 11.2 m -69.13 136.02 51.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.285 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -86.05 152.4 22.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 t -73.05 130.07 39.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 t -167.1 156.76 10.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.435 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.676 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -119.46 159.5 24.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.248 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -134.14 -153.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.26 -26.11 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.347 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.566 ' HB ' HG22 ' A' ' 69' ' ' THR . 12.6 pt -101.05 101.24 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.444 1.09 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -34.71 -36.37 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.632 HG23 ' O ' ' A' ' 69' ' ' THR . 12.6 t -41.55 98.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.76 . . . . 0.0 110.435 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.6 t -66.12 137.6 57.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 108.316 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.539 ' CE3' HG11 ' A' ' 80' ' ' VAL . 77.7 m95 -109.14 117.7 52.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.014 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.1 Cg_endo -75.03 143.93 29.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -37.07 153.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 110.32 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.584 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -156.07 -170.44 3.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.036 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.928 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . . . -94.51 166.71 14.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.244 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.569 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -74.99 151.16 39.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.544 1.813 . . . . 0.0 111.051 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 46.97 47.1 19.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 79' ' ' LEU . . . -101.2 -9.69 21.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 0.723 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER 39.0 90.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.766 ' O ' HG12 ' A' ' 80' ' ' VAL . 25.6 t -77.02 61.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -78.1 119.97 22.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.651 ' O ' HG13 ' A' ' 113' ' ' VAL . 53.7 t80 -161.45 100.24 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.978 ' CG ' HG11 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -104.53 93.58 4.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.224 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.529 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 2.8 pt-20 -81.03 122.37 27.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.298 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.598 ' SG ' ' CE3' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -103.88 139.31 39.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 108.32 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.2 158.63 26.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.81 -2.49 20.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.62 1.27 56.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 77.58 46.78 9.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.445 1.09 . . . . 0.0 111.088 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.7 p -131.23 173.1 11.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 110.487 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.598 ' CE3' ' SG ' ' A' ' 103' ' ' CYS . 6.9 m95 -105.3 179.53 4.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.529 ' HB2' ' HG3' ' A' ' 102' ' ' GLU . . . -96.73 -153.14 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.54 -74.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.42 121.57 44.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 110.245 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.978 HG11 ' CG ' ' A' ' 101' ' ' ARG . 41.9 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.25 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -120.83 147.07 45.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 7.7 m -44.42 128.64 6.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 108.273 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -108.66 166.32 10.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 71' ' ' TRP . 98.2 m -64.86 122.13 16.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 t -147.98 158.64 44.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.399 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 pp -91.94 140.43 29.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -93.74 -171.43 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -71.37 -12.82 61.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.9 pt -103.93 38.73 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 36.92 45.39 1.08 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.508 HG23 ' CD1' ' A' ' 71' ' ' TRP . 3.7 t -120.62 117.71 28.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 0.727 . . . . 0.0 110.439 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.9 t -99.87 110.15 22.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 108.274 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.843 ' O ' HG23 ' A' ' 62' ' ' THR . 23.7 m0 -95.46 157.4 36.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 108.002 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.0 146.91 33.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.446 ' N ' ' OG1' ' A' ' 62' ' ' THR . 4.1 pp0? -44.05 169.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.42 170.53 22.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.936 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.33 159.15 45.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 146.25 32.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.428 1.752 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.84 4.86 59.77 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.28 -150.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.73 . . . . 0.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.65 94.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.554 ' O ' HG12 ' A' ' 80' ' ' VAL . 89.1 t -93.61 61.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.526 ' HA ' ' CB ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -96.07 150.06 20.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 110.262 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.526 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 15.7 p90 -134.78 144.53 47.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.061 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.494 ' HG3' ' CB ' ' A' ' 113' ' ' VAL . 2.0 mtt180 -133.74 127.09 32.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.721 ' HG2' ' HB2' ' A' ' 110' ' ' ALA . 0.7 OUTLIER -88.22 141.22 28.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.252 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.439 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 1.6 m -104.77 111.96 24.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 108.269 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -63.94 163.53 11.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -77.42 1.33 19.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.7 -3.3 49.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.17 43.17 8.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.1 p -132.03 163.91 27.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 0.73 . . . . 0.0 110.405 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.468 ' CE3' ' HB3' ' A' ' 101' ' ' ARG . 14.6 m95 -87.93 -173.13 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.721 ' HB2' ' HG2' ' A' ' 102' ' ' GLU . . . -91.38 -162.2 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.4 p -70.07 -51.98 27.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.074 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -179.04 121.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.822 HG21 ' CH2' ' A' ' 71' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.386 -0.228 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.798 ' CE1' ' HB2' ' A' ' 75' ' ' ALA . 3.4 t80 -97.49 166.67 11.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.438 ' HB2' ' N ' ' A' ' 74' ' ' SER . 41.8 m -77.29 161.36 28.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.317 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -117.77 167.73 11.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 8.9 t -93.63 134.81 35.54 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.67 169.2 24.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.449 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.805 HD12 ' N ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -151.55 159.24 44.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.805 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -173.67 -164.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -37.7 -48.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.694 HD13 ' H ' ' A' ' 67' ' ' ILE . 0.1 OUTLIER -132.49 35.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.624 ' O ' ' CD1' ' A' ' 71' ' ' TRP . . . -78.47 -17.2 78.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.645 ' CG2' ' CZ2' ' A' ' 71' ' ' TRP . 4.2 t 39.23 28.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' GLY . 5.9 t 45.63 83.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.645 ' CZ2' ' CG2' ' A' ' 69' ' ' THR . 87.0 m95 -79.03 114.72 46.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 107.963 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.462 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.9 64.76 5.98 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER 40.5 -165.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.552 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 168.09 179.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.798 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . . . -99.07 162.06 22.71 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.438 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.6 Cg_endo -74.9 145.57 32.01 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 111.035 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 67.16 18.28 68.97 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.614 ' O ' HD12 ' A' ' 79' ' ' LEU . . . -86.62 -155.94 0.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -164.0 113.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.76 ' O ' HG12 ' A' ' 80' ' ' VAL . 25.3 t -110.9 61.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -100.77 143.13 31.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.358 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.977 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.481 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -154.96 124.31 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 111.028 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.449 ' CG ' HG23 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -149.63 122.09 8.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.94 162.14 14.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -113.33 113.84 25.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.3 mt -54.0 173.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -77.8 1.13 21.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -97.31 -1.85 43.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.33 23.11 61.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.596 1.185 . . . . 0.0 111.069 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.3 p -110.96 172.02 7.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 110.371 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.515 ' CZ2' ' HB3' ' A' ' 71' ' ' TRP . 56.2 m95 -92.19 -172.04 3.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.8 -170.44 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -60.05 3.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.468 ' HG2' HD11 ' A' ' 67' ' ' ILE . 2.3 ttt180 -178.78 128.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.977 HG22 ' HB1' ' A' ' 99' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 58' ' ' THR . 4.4 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.715 ' CE1' ' HB2' ' A' ' 75' ' ' ALA . 20.1 t80 -114.89 159.3 20.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.46 ' HB2' ' CA ' ' A' ' 74' ' ' SER . 10.0 m -75.1 133.21 41.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 108.342 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -93.16 168.08 11.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.427 ' N ' ' HG2' ' A' ' 73' ' ' GLN . 5.9 t -90.06 130.46 36.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.427 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.41 172.84 2.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.391 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.588 ' O ' HD12 ' A' ' 64' ' ' LEU . 4.4 pp -130.23 125.3 34.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -169.68 36.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.413 ' OE1' ' NE1' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -123.34 -65.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.267 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -143.75 38.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.1 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.26 -3.76 65.48 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 m -88.57 148.51 24.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.445 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -114.76 120.75 41.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.497 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . 0.4 OUTLIER -90.96 129.45 44.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.5 Cg_endo -74.96 83.27 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 62' ' ' THR . 3.8 mt-30 47.64 -176.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.615 ' OG ' ' CH2' ' A' ' 109' ' ' TRP . 0.0 OUTLIER 176.48 179.01 0.21 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.087 . . . . 0.0 110.004 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.715 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . . . -112.68 166.8 10.28 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.564 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -74.99 145.04 30.99 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.551 1.817 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 56.43 16.14 14.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.662 ' O ' HD22 ' A' ' 79' ' ' LEU . . . -71.79 -147.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.769 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.787 HD12 ' CG ' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -158.87 86.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.709 HG21 ' HH2' ' A' ' 109' ' ' TRP . 79.1 t -89.77 65.57 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.787 ' CG ' HD12 ' A' ' 79' ' ' LEU . 23.4 mt-10 -74.34 139.91 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.705 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 12.7 ttm-85 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 82' ' ' ARG . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.792 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -100.03 161.71 13.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.68 ' CZ ' ' HB2' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -160.35 142.47 12.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.411 ' C ' HH12 ' A' ' 101' ' ' ARG . 2.6 pt-20 -103.85 129.46 51.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.349 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -68.35 130.29 42.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 108.375 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.79 160.5 9.36 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -69.86 -4.52 20.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.659 ' HB3' HG23 ' A' ' 108' ' ' THR . 0.6 OUTLIER -99.73 8.09 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 70.68 15.01 73.12 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.659 HG23 ' HB3' ' A' ' 106' ' ' ASN . 45.6 p -89.43 176.89 6.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 0.729 . . . . 0.0 110.373 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.709 ' HH2' HG21 ' A' ' 80' ' ' VAL . 4.5 m95 -93.84 179.15 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 108.033 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.641 ' N ' HH21 ' A' ' 101' ' ' ARG . . . -98.9 141.49 31.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.15 -51.28 4.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.597 1.186 . . . . 0.0 109.953 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -165.99 123.24 1.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 100' ' ' TYR . 12.5 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.492 ' C ' ' CD1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -142.54 166.08 25.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 111.051 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.84 128.56 34.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 108.325 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 62' ' ' THR . 16.6 t-20 -90.96 163.28 14.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.26 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 13.0 t -85.42 114.01 22.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -148.33 159.8 43.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.08 . . . . 0.0 110.442 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 pp -79.08 163.85 24.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.499 ' OD1' ' CZ ' ' A' ' 101' ' ' ARG . 4.7 t0 -125.75 -164.16 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -55.33 -42.74 74.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.527 ' O ' ' C ' ' A' ' 68' ' ' GLY . 42.0 pt -102.21 34.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.527 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 25.06 54.03 0.05 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.426 1.079 . . . . 0.0 111.065 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.551 ' O ' HG22 ' A' ' 69' ' ' THR . 1.1 m -84.0 11.49 7.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.434 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.507 ' C ' ' O ' ' A' ' 69' ' ' THR . 0.5 OUTLIER 33.29 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 108.291 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.482 ' O ' ' HA ' ' A' ' 62' ' ' THR . 91.8 m95 -87.85 124.02 67.97 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -74.96 147.83 34.62 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.461 1.769 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.472 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 3.2 mt-30 -37.95 157.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.6 m -157.23 -166.38 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 110.044 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.503 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -117.01 164.53 18.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.503 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -75.08 148.63 35.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.91 44.11 98.28 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.03 -170.39 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.611 0.83 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.447 ' CD2' ' OE1' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -145.26 103.45 3.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.404 1.065 . . . . 0.0 109.349 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.629 HG21 ' HH2' ' A' ' 109' ' ' TRP . 26.3 t -102.12 52.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.543 ' HB2' ' CD2' ' A' ' 100' ' ' TYR . 8.7 pt-20 -87.84 149.17 24.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.336 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.843 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 99' ' ' ALA . 47.0 m-85 -157.06 109.32 2.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.499 ' CZ ' ' OD1' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -125.63 125.92 43.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -110.52 164.06 13.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.75 116.54 28.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 108.298 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.8 mt -56.09 169.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.242 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -78.63 1.13 23.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.45 -1.63 40.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.227 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 82.8 24.73 52.26 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.46 1.1 . . . . 0.0 110.956 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.9 p -104.3 175.65 5.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.362 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.629 ' HH2' HG21 ' A' ' 80' ' ' VAL . 13.1 m95 -96.03 -172.22 2.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.471 ' HB3' ' HE ' ' A' ' 101' ' ' ARG . . . -84.7 -144.07 0.09 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.501 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -91.47 -44.65 8.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.969 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.573 ' O ' HG12 ' A' ' 113' ' ' VAL . 5.8 mtt180 167.0 48.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.843 HG22 ' HB1' ' A' ' 99' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 58' ' ' THR . 12.8 t . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 6.9 p90 -125.66 155.24 41.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 76' ' ' PRO . 7.6 m -47.97 132.53 15.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.228 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -111.96 172.6 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 1.8 m -75.19 106.97 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.474 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -136.6 164.52 28.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.366 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' A' ' 63' ' ' THR . 0.5 OUTLIER -123.1 122.18 37.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.496 ' OD2' ' CZ ' ' A' ' 101' ' ' ARG . 0.2 OUTLIER -90.27 -167.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.345 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' ASP . 3.1 tp60 -38.42 -30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.53 HD11 ' CZ2' ' A' ' 71' ' ' TRP . 25.6 pt -91.09 103.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -32.24 -38.58 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.553 1.158 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' ILE . 1.7 m -44.54 110.59 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 0.742 . . . . 0.0 110.353 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.47 153.42 35.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 108.255 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.53 ' CZ2' HD11 ' A' ' 67' ' ' ILE . 96.8 m95 -118.21 135.7 23.62 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.138 . . . . 0.0 107.98 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 138.03 22.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.34 162.72 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.03 -178.94 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.45 157.3 65.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.479 ' HB3' ' HA2' ' A' ' 107' ' ' GLY . 18.5 Cg_endo -75.0 171.26 18.68 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.571 1.827 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 52.0 66.67 2.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -157.42 -147.4 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 0.736 . . . . 0.0 109.245 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.634 ' N ' HD23 ' A' ' 79' ' ' LEU . 1.2 pt? -169.87 133.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.706 ' O ' HG12 ' A' ' 80' ' ' VAL . 40.8 t -114.22 63.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.501 ' OE2' HD12 ' A' ' 79' ' ' LEU . 38.9 mt-10 -77.12 133.21 39.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.58 ' HB1' HG12 ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.659 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -146.0 127.8 15.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.659 ' CG ' HG22 ' A' ' 113' ' ' VAL . 13.2 ttt180 -128.39 131.27 48.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -100.52 149.57 23.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.32 135.67 45.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 76' ' ' PRO . 1.2 tp -86.97 151.77 22.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.55 -0.17 16.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.55 -9.23 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.479 ' HA2' ' HB3' ' A' ' 76' ' ' PRO . . . 101.34 8.93 45.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.61 1.194 . . . . 0.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 109' ' ' TRP . 0.6 OUTLIER -135.52 174.09 10.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 110.415 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.578 ' CE3' ' HD3' ' A' ' 101' ' ' ARG . 63.6 m95 -77.2 -163.4 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 107.986 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.12 -107.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.35 -38.46 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.07 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -178.96 155.59 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.659 HG22 ' CG ' ' A' ' 101' ' ' ARG . 5.9 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 58' ' ' THR . 10.9 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -126.33 -178.53 4.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.414 ' O ' ' O ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -92.01 138.52 31.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.297 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -120.63 -167.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 1.2 m -73.2 127.97 34.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -166.81 174.83 8.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 110.446 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.4 ' N ' HG23 ' A' ' 63' ' ' THR . 3.0 pp -119.38 128.16 53.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.437 ' HB2' ' CD1' ' A' ' 71' ' ' TRP . 18.6 t0 -78.97 179.36 7.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -57.26 -21.81 36.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.244 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.499 ' O ' ' C ' ' A' ' 68' ' ' GLY . 2.1 pt -93.12 37.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.499 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 29.68 42.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.592 ' O ' ' CD1' ' A' ' 71' ' ' TRP . 39.1 m -107.4 107.57 18.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.783 . . . . 0.0 110.434 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.45 110.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 108.222 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.644 ' CE3' HG11 ' A' ' 80' ' ' VAL . 96.7 m95 -101.84 127.63 30.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 156.59 43.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.5 154.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -159.99 171.81 18.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.991 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.487 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -97.94 163.98 18.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.487 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.5 Cg_endo -74.95 146.57 33.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.538 1.809 . . . . 0.0 111.064 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.53 26.57 68.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.26 -150.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.74 111.68 2.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.237 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.89 HG21 ' CH2' ' A' ' 109' ' ' TRP . 70.7 t -102.58 50.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.489 ' CB ' ' HA ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -83.84 140.13 32.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.775 ' HG3' ' HB3' ' A' ' 99' ' ' ALA . 11.4 ptp180 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.775 ' HB3' ' HG3' ' A' ' 82' ' ' ARG . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.489 ' HA ' ' CB ' ' A' ' 81' ' ' GLU . 0.2 OUTLIER 171.97 52.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.759 ' HB3' HG13 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -101.78 -164.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 2.8 pt-20 -151.91 140.07 20.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.02 138.47 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 108.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.21 156.89 36.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.24 1.71 17.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.41 1.26 41.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.78 36.66 18.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.138 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 70.0 p -128.69 139.94 51.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.89 ' CH2' HG21 ' A' ' 80' ' ' VAL . 48.1 m95 -56.9 -171.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.034 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 102' ' ' GLU . . . -99.74 -175.19 2.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.38 -55.74 3.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.023 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -147.81 122.41 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.252 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.759 HG13 ' HB3' ' A' ' 101' ' ' ARG . 22.1 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 58' ' ' THR . 12.0 t . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 60' ' ' CYS . 40.7 p90 -102.81 166.84 10.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' TYR . 10.9 m -41.17 134.09 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.451 ' HA ' ' CG ' ' A' ' 73' ' ' GLN . 24.7 t30 -96.64 172.78 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.172 . . . . 0.0 109.301 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 t -87.25 130.73 34.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.462 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -166.66 176.21 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.64 ' CD2' ' O ' ' A' ' 68' ' ' GLY . 14.3 mt -117.48 152.51 34.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.23 -153.19 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.354 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -47.55 -28.55 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.547 ' C ' ' H ' ' A' ' 69' ' ' THR . 0.5 OUTLIER -110.49 110.08 30.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.08 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.64 ' O ' ' CD2' ' A' ' 64' ' ' LEU . . . -50.92 -7.21 0.16 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.17 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.547 ' H ' ' C ' ' A' ' 67' ' ' ILE . 14.7 m -62.25 72.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 110.444 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' A' ' 68' ' ' GLY . 0.6 OUTLIER -38.73 127.98 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.455 ' HH2' ' HB3' ' A' ' 99' ' ' ALA . 49.8 m95 -101.61 115.88 64.31 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 75.14 3.78 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.451 ' CG ' ' HA ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER 52.61 172.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.583 ' OG ' ' CZ2' ' A' ' 109' ' ' TRP . 3.6 m -159.37 -157.82 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.7 152.88 80.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.36 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.427 ' HB3' ' N ' ' A' ' 107' ' ' GLY . 18.4 Cg_endo -74.94 139.82 24.91 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.538 1.81 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.47 20.54 77.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.557 1.161 . . . . 0.0 111.059 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.788 ' C ' HD13 ' A' ' 79' ' ' LEU . . . -126.08 157.89 36.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.789 HD13 ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -123.71 110.8 15.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.589 ' O ' HG12 ' A' ' 80' ' ' VAL . 75.6 t -68.59 63.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 109.222 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 79' ' ' LEU . 4.6 pt-20 -76.4 130.31 37.85 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.398 1.061 . . . . 0.0 110.32 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.65 ' HB1' ' CG2' ' A' ' 113' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.496 ' CD1' ' C ' ' A' ' 99' ' ' ALA . 22.5 m-85 -154.42 106.44 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -124.73 143.21 50.89 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 79' ' ' LEU . 12.5 pt-20 -110.22 152.97 25.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 110.222 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.31 132.64 48.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 108.3 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 47.8 mt -66.06 168.69 7.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -79.52 1.24 26.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.357 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.9 -2.77 49.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.427 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 82.45 33.06 26.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 67.4 p -123.11 162.91 21.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 0.73 . . . . 0.0 110.363 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.583 ' CZ2' ' OG ' ' A' ' 74' ' ' SER . 23.5 m95 -80.83 -171.71 3.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 107.975 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.0 -156.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.36 -66.4 0.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -177.78 163.61 1.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.634 1.209 . . . . 0.0 110.278 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.65 ' CG2' ' HB1' ' A' ' 99' ' ' ALA . 1.4 p . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.68 170.5 21.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 0.806 . . . . 0.0 109.962 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -132.79 68.01 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.2 ttt -169.08 115.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 0.786 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -179.92 -179.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.21 112.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.239 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -176.48 145.5 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -159.45 164.99 34.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -177.4 142.09 0.33 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.34 117.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.354 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -125.0 -176.23 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -134.42 163.93 28.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -51.81 132.12 31.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -170.52 111.77 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.265 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -117.5 -60.95 1.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 110.27 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -176.38 156.21 1.54 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 109.598 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.69 35.45 1.03 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.2 t70 61.43 146.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.209 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m 167.56 152.78 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.021 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.434 ' O ' ' CB ' ' A' ' 36' ' ' LEU . 4.3 t70 -107.44 147.24 30.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.434 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER 83.39 -51.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.1 129.59 3.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.517 1.135 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.4 t -81.12 2.38 27.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 110.375 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -174.28 124.42 0.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.468 HD23 ' H ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -69.63 150.13 47.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 mt -87.67 3.43 47.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.341 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -121.15 34.07 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.44 -44.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 45' ' ' CYS . 6.8 p90 -176.48 -37.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.531 1.145 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.592 ' O ' ' CD2' ' A' ' 44' ' ' TYR . 1.8 t 61.6 -145.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 108.306 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.524 ' CG ' ' HB3' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -74.45 -166.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.57 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.473 ' O ' ' C ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -57.39 -36.28 71.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.588 1.18 . . . . 0.0 110.313 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 48' ' ' THR . 10.2 t 32.53 89.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.444 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 49' ' ' THR . 15.0 t -139.5 87.83 2.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.112 . . . . 0.0 110.449 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.514 HG22 ' ND2' ' A' ' 61' ' ' ASN . 17.2 tt -171.68 163.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.407 1.067 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.72 58.1 0.34 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.434 1.084 . . . . 0.0 111.033 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.8 t30 68.55 52.99 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.792 . . . . 0.0 109.324 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -168.26 -40.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.93 76.39 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -111.11 98.9 1.08 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.103 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.483 ' HG2' ' CE1' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.07 -66.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.79 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.483 ' CE1' ' HG2' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -121.75 -169.69 1.91 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.6 m -100.31 34.31 2.41 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.416 1.072 . . . . 0.0 110.39 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.488 ' C ' ' CD1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -79.12 167.74 20.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.2 m -66.01 148.72 51.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 108.28 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.514 ' ND2' HG22 ' A' ' 50' ' ' ILE . 13.2 t-20 -114.71 163.3 15.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.369 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.42 ' N ' ' HG3' ' A' ' 73' ' ' GLN . 2.5 m -62.68 126.18 26.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -158.42 159.4 35.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 0.0 110.449 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.69 ' O ' HD12 ' A' ' 64' ' ' LEU . 4.0 pp -132.52 126.36 32.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.364 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' C ' ' N ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -95.48 -160.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' ASP . 17.0 mp0 -38.83 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.39 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.967 HD13 HG12 ' A' ' 113' ' ' VAL . 5.2 mp -89.46 102.7 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -35.53 -42.52 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.687 ' HB ' HG22 ' A' ' 67' ' ' ILE . 1.8 m -46.29 109.79 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.754 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.2 p -82.61 143.22 31.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 108.344 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.511 ' HH2' ' HB3' ' A' ' 99' ' ' ALA . 21.2 m95 -110.67 141.78 24.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.036 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.524 ' HB3' ' CG ' ' A' ' 46' ' ' HIS . 18.3 Cg_endo -74.98 143.36 29.04 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.545 1.813 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -36.17 150.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.395 1.059 . . . . 0.0 110.279 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -143.0 -171.52 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.31 153.52 37.7 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 147.35 33.63 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.76 5.78 70.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.79 -157.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.9 132.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.739 ' O ' HG12 ' A' ' 80' ' ' VAL . 40.2 t -103.52 59.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.62 143.32 26.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.419 ' N ' ' HD3' ' A' ' 83' ' ' PRO . 18.2 mtm180 -151.86 63.75 5.46 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.343 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -74.97 102.26 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.54 1.81 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.6 m 65.36 158.33 0.13 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 108.231 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -59.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.446 1.761 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.56 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -134.51 143.22 47.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -78.67 59.72 2.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 89' ' ' ASN . 25.6 p90 -76.83 -45.21 29.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.563 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 10.3 m120 66.12 80.9 0.21 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.594 1.184 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 104.41 57.94 0.7 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.458 1.099 . . . . 0.0 111.045 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.556 HG23 ' N ' ' A' ' 92' ' ' LYS . 0.3 OUTLIER -158.46 169.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.513 0.772 . . . . 0.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.556 ' N ' HG23 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -83.66 108.95 17.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.401 1.063 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -80.62 172.49 13.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.584 HD22 ' N ' ' A' ' 94' ' ' ASN . 1.5 m-80 -108.92 -28.61 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.4 m 63.27 109.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.435 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 72.7 p -122.16 53.89 1.2 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 55.44 66.24 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.552 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 15.8 p30 -57.28 155.91 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 1.046 ' HB1' ' CG2' ' A' ' 113' ' ' VAL . . . 172.97 171.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.248 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -148.61 102.39 3.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.4 125.62 31.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.534 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 1.2 pt-20 -100.88 154.13 18.92 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 108' ' ' THR . 0.1 OUTLIER -117.52 117.08 28.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 108.256 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.1 mt -59.06 165.16 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.237 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -77.8 1.4 20.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.66 -2.73 40.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.14 49.93 4.78 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 103' ' ' CYS . 66.2 p -140.44 156.2 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 0.81 . . . . 0.0 110.36 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -82.84 -171.46 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.604 1.19 . . . . 0.0 107.977 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.534 ' HB2' ' HG3' ' A' ' 102' ' ' GLU . . . -99.35 -168.23 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -58.64 7.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -174.01 137.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 1.046 ' CG2' ' HB1' ' A' ' 99' ' ' ALA . 2.3 p -48.13 154.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -167.66 155.29 8.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.557 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 28.1 p90 -177.0 98.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.489 ' O ' ' CD ' ' A' ' 120' ' ' PRO . 56.0 p -119.58 1.13 11.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -93.7 15.08 17.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.562 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 8.6 t -117.11 -47.92 2.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 108.349 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.497 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -47.72 -51.84 42.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.3 Cg_endo -75.03 119.29 5.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 12.2 mm -140.08 155.26 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.362 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.47 53.44 2.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -179.93 81.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 177.33 133.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm 173.69 87.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -144.14 175.93 9.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 4.1 mtm-85 65.55 136.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.251 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.76 -63.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.439 ' CG ' ' N ' ' A' ' 130' ' ' ASP . 43.2 t80 53.39 171.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.439 ' N ' ' CG ' ' A' ' 129' ' ' TYR . 0.2 OUTLIER 173.72 166.53 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 54.8 tp -129.26 133.84 47.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.37 144.83 46.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.608 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.9 t -167.2 165.79 15.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.963 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.36 126.53 8.67 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.416 1.073 . . . . 0.0 111.039 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -179.38 -172.51 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.764 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.3 mttt 61.79 -176.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 59.43 115.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.231 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.7 m -162.07 153.88 18.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 110.42 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -147.93 165.14 31.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -177.6 150.83 0.7 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.439 ' O ' ' CG ' ' A' ' 25' ' ' LYS . . . -163.94 178.29 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -173.57 175.98 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -165.58 176.4 8.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -174.15 167.7 4.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 0.0 110.31 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.04 167.61 4.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.14 -62.79 1.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 56.78 175.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.3 mtt 60.45 121.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 178.31 159.3 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m -167.77 150.39 5.5 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.797 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.57 141.57 47.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.74 85.38 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.5 42.15 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.557 1.161 . . . . 0.0 110.943 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.403 ' C ' ' OG1' ' A' ' 39' ' ' THR . 81.2 p -80.13 51.02 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.366 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.469 HG22 ' CD2' ' A' ' 40' ' ' LEU . 2.6 m -154.13 -137.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.469 ' CD2' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -114.81 -51.97 2.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 65.03 73.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.484 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 2.6 mt-10 60.51 47.8 8.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.251 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.428 ' O ' ' CD2' ' A' ' 44' ' ' TYR . 64.7 mm-40 51.94 -97.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.275 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.428 ' CD2' ' O ' ' A' ' 43' ' ' GLN . 1.4 m-85 -177.22 78.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.49 ' O ' HG21 ' A' ' 62' ' ' THR . 28.6 p -139.25 73.51 1.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.553 ' CD2' ' N ' ' A' ' 47' ' ' ARG . 7.7 t60 -45.13 159.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.592 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.553 ' N ' ' CD2' ' A' ' 46' ' ' HIS . 0.6 OUTLIER -80.66 -91.66 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.357 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.442 ' N ' ' CG ' ' A' ' 47' ' ' ARG . 13.8 t -175.0 -41.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.393 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 p 38.38 90.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.7 tt -61.38 -22.56 27.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.58 131.98 3.77 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 60.43 115.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 0.807 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 54' ' ' SER . 41.5 t80 60.03 94.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.158 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' PHE . 60.1 p -37.8 107.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.47 105.3 0.01 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -71.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.476 1.777 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.73 ' CE1' ' CD1' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -53.52 -172.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 58' ' ' THR . 3.3 t -91.27 89.52 7.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.73 ' CD1' ' CE1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -119.0 174.08 6.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 96.8 m -88.5 150.16 23.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.308 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -106.47 160.65 15.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.49 HG21 ' O ' ' A' ' 45' ' ' CYS . 1.8 m -71.51 122.11 19.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.399 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 m -143.39 152.93 42.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.427 1.08 . . . . 0.0 110.36 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.641 ' O ' HD12 ' A' ' 64' ' ' LEU . 4.2 pp -116.54 134.69 54.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.491 ' OD2' HG23 ' A' ' 113' ' ' VAL . 22.0 t0 -96.86 -178.01 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -64.83 -11.4 36.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.274 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 69' ' ' THR . 4.8 mt -102.49 38.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 34.79 37.9 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 67' ' ' ILE . 1.1 p -88.33 92.89 9.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 110.394 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.12 93.51 8.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.072 . . . . 0.0 108.254 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.408 ' O ' ' HA ' ' A' ' 62' ' ' THR . 68.7 m95 -88.67 113.41 55.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.008 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.471 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.03 81.5 2.21 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.812 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER 53.33 169.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.485 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 64.7 m -169.96 -173.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.929 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.03 157.42 52.96 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.49 31.51 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.584 1.834 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 57.91 49.36 75.41 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.578 1.174 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.835 ' O ' HD22 ' A' ' 79' ' ' LEU . . . -125.72 -161.39 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 0.796 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.835 HD22 ' O ' ' A' ' 78' ' ' ALA . 1.1 mm? -142.71 110.44 5.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.762 ' O ' HG12 ' A' ' 80' ' ' VAL . 54.0 t -110.16 49.44 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -102.84 161.97 13.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 82' ' ' ARG . 3.7 ptp180 -171.62 63.58 0.37 Allowed Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 82' ' ' ARG . 18.1 Cg_endo -74.99 131.86 14.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 26.5 m 67.34 112.98 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 108.263 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -166.17 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 54.44 -174.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 0.9 OUTLIER -118.91 105.92 11.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.647 ' CE2' ' ND2' ' A' ' 89' ' ' ASN . 7.2 p90 -114.79 -21.92 9.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.647 ' ND2' ' CE2' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -113.38 -64.61 1.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 109.238 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 179.23 36.97 0.07 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.565 1.166 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.848 HG21 ' CE2' ' A' ' 93' ' ' TYR . 26.7 mm -137.58 150.57 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.585 0.814 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.73 106.39 14.74 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.848 ' CE2' HG21 ' A' ' 91' ' ' ILE . 9.0 m-85 -125.31 76.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.408 ' N ' HD22 ' A' ' 94' ' ' ASN . 1.0 OUTLIER -56.96 -27.95 61.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.9 p -53.65 103.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.464 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.0 m -49.29 -68.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.78 116.76 4.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 11.2 p30 -94.43 163.45 13.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.559 ' HA ' ' CD1' ' A' ' 115' ' ' TYR . . . 179.08 171.08 0.89 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.57 ' CD2' ' HB2' ' A' ' 81' ' ' GLU . 1.2 t80 -134.34 109.09 8.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.665 ' CG ' HG13 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -128.89 134.6 48.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -120.09 153.02 36.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 108' ' ' THR . 0.1 OUTLIER -112.92 113.5 25.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 108.282 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.04 171.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -78.23 1.29 22.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -98.15 -2.66 39.41 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.48 31.83 32.54 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 103' ' ' CYS . 64.6 p -113.35 174.1 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 0.798 . . . . 0.0 110.371 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.681 ' HH2' HG21 ' A' ' 80' ' ' VAL . 6.9 m95 -100.98 -175.63 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.519 ' HB3' HH11 ' A' ' 101' ' ' ARG . . . -93.85 -156.44 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.6 p -111.35 -45.35 3.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 0.0 110.024 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.74 132.76 33.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.665 HG13 ' CG ' ' A' ' 101' ' ' ARG . 0.2 OUTLIER -94.24 72.63 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 100' ' ' TYR . 0.8 OUTLIER -96.18 175.62 6.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.559 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 3.2 p90 -161.69 105.49 1.24 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.69 1.19 29.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.62 31.72 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.585 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 84' ' ' CYS . 37.6 t -103.55 -53.96 2.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.147 . . . . 0.0 108.272 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 0.4 OUTLIER -45.15 -54.1 15.01 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.32 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.1 Cg_endo -75.04 125.95 9.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.526 1.803 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 32.7 mm -75.05 134.63 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.6 1.188 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.9 -179.84 3.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.29 174.44 0.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 109.344 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.5 175.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.236 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.47 133.12 4.47 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -104.18 175.64 5.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.266 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.6 ttp-105 -39.98 117.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -40.59 -66.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 26.4 t80 55.53 173.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -150.74 169.28 22.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.95 -175.54 2.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.083 . . . . 0.0 109.332 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -163.99 146.81 9.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.595 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 68.7 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.4 t -170.54 170.28 6.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 0.746 . . . . 0.0 110.021 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.01 168.35 39.65 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 50.6 mmm -142.12 141.63 32.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 0.756 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -112.49 164.07 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -142.79 167.2 22.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -134.23 146.55 50.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.65 142.95 33.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.27 -62.05 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -174.77 176.76 2.18 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -69.47 141.76 53.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -99.2 173.37 6.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.86 167.75 24.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.82 158.25 24.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -120.09 -58.6 1.86 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.122 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 30' ' ' HIS . 1.7 t-80 40.1 89.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.543 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.05 -56.92 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.72 167.17 14.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 m -162.79 149.71 10.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.517 1.798 . . . . 0.0 111.01 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.05 122.45 18.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.74 80.53 1.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.567 ' HA3' HD11 ' A' ' 41' ' ' LEU . . . 169.57 70.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.108 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.1 t -89.0 35.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 0.755 . . . . 0.0 110.373 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.831 ' OG1' HD23 ' A' ' 40' ' ' LEU . 9.6 t -160.78 -138.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.46 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.831 HD23 ' OG1' ' A' ' 39' ' ' THR . 1.5 pt? -120.92 107.66 12.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.567 HD11 ' HA3' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -93.42 8.98 38.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 44' ' ' TYR . 19.3 mp0 -114.63 22.1 13.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.58 ' O ' ' CD2' ' A' ' 44' ' ' TYR . 5.3 tt0 -68.45 62.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.58 ' CD2' ' O ' ' A' ' 43' ' ' GLN . 2.0 m-85 176.12 81.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.15 52.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.324 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -61.71 134.38 56.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.57 1.169 . . . . 0.0 109.553 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.521 ' C ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -103.22 -99.68 0.29 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.521 HG22 ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 169.68 171.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 110.415 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.446 ' N ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER 176.83 102.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.445 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' THR . 19.1 tt 39.73 30.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' THR . . . 40.37 62.49 1.56 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -168.22 -80.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 173.29 -40.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.407 ' O ' ' OG1' ' A' ' 49' ' ' THR . 0.5 OUTLIER -61.39 157.39 16.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.963 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.74 108.48 0.91 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.441 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -74.98 -65.95 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.441 ' CD2' ' HG2' ' A' ' 56' ' ' PRO . 24.3 p90 -93.95 160.68 14.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.5 m -80.7 102.77 10.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.367 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.53 164.21 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' SER . 6.5 m -53.08 161.6 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -108.03 170.81 7.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.479 ' O ' ' CB ' ' A' ' 63' ' ' THR . 6.4 t -102.23 136.22 42.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.376 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.479 ' CB ' ' O ' ' A' ' 62' ' ' THR . 0.6 OUTLIER 168.18 160.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.765 ' C ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -120.09 141.4 49.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.85 35.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.358 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.473 ' NE2' ' CZ ' ' A' ' 101' ' ' ARG . 2.9 mp0 -123.9 -77.25 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -140.14 37.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.86 -36.83 3.31 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.457 1.098 . . . . 0.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.3 m -55.65 112.94 1.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.747 . . . . 0.0 110.437 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.56 139.72 37.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 108.321 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.412 ' CD2' ' HD3' ' A' ' 101' ' ' ARG . 1.0 OUTLIER -117.53 115.6 37.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 108.024 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.45 ' HA ' ' OG1' ' A' ' 62' ' ' THR . 18.0 Cg_endo -74.96 151.27 39.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.773 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 72' ' ' PRO . 7.2 mt-30 -36.82 152.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.262 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' CYS . 0.7 OUTLIER -156.4 168.3 27.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.31 154.45 90.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.12 37.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.568 1.825 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.89 59.59 9.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.413 1.071 . . . . 0.0 110.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.34 -165.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 0.721 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.79 104.23 5.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.391 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.769 ' O ' HG12 ' A' ' 80' ' ' VAL . 22.9 t -96.0 61.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.479 ' CB ' ' HA ' ' A' ' 100' ' ' TYR . 14.6 pt-20 -98.49 156.59 16.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 82' ' ' ARG . 3.9 ptp180 -162.85 145.84 8.48 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 125.47 9.34 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.475 1.776 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 59.5 m -42.78 103.38 0.31 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.14 . . . . 0.0 108.312 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.557 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 18.3 Cg_endo -74.96 176.92 9.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.781 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -70.31 165.56 22.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.256 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.548 ' CG ' ' O ' ' A' ' 87' ' ' TYR . 31.0 t80 49.93 53.06 13.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.606 ' CZ ' ' CG ' ' A' ' 89' ' ' ASN . 21.2 p90 -121.7 -47.41 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 110.985 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.782 ' HB2' HG23 ' A' ' 121' ' ' ILE . 53.0 p-10 -113.39 -21.37 10.93 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.423 1.077 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.451 ' N ' ' OD1' ' A' ' 89' ' ' ASN . . . 153.61 -49.0 0.52 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.847 HD12 ' HB3' ' A' ' 124' ' ' ASP . 6.5 tt -93.21 173.1 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.421 ' O ' ' ND2' ' A' ' 94' ' ' ASN . 11.1 mtmm -78.51 -172.14 2.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.446 ' O ' ' CG ' ' A' ' 93' ' ' TYR . 5.3 p90 -78.99 133.2 36.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.594 HD22 ' N ' ' A' ' 94' ' ' ASN . 0.8 OUTLIER -121.03 -1.27 9.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.499 HG22 ' H ' ' A' ' 96' ' ' THR . 2.5 m 76.23 -179.92 0.16 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.524 1.14 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.499 ' H ' HG22 ' A' ' 95' ' ' THR . 24.0 m 72.92 -54.44 0.69 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.536 1.148 . . . . 0.0 110.371 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.43 91.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.05 139.49 50.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.371 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.764 ' HB1' ' CG2' ' A' ' 113' ' ' VAL . . . -110.98 169.99 8.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -139.98 145.21 37.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.473 ' CZ ' ' NE2' ' A' ' 66' ' ' GLN . 1.9 mtp85 -136.24 80.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.355 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.29 146.98 53.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.31 136.1 50.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.424 1.077 . . . . 0.0 108.265 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.5 mt -74.09 157.81 35.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -76.92 1.13 18.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.07 -1.61 54.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.07 43.69 8.02 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.0 p -129.99 170.38 14.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 0.772 . . . . 0.0 110.469 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.734 ' HH2' HG21 ' A' ' 80' ' ' VAL . 6.9 m95 -90.07 -171.35 3.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 107.974 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.36 -142.21 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.08 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 m -94.07 -80.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.938 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.717 ' O ' HG12 ' A' ' 113' ' ' VAL . 9.2 ptt180 -158.11 47.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.764 ' CG2' ' HB1' ' A' ' 99' ' ' ALA . 7.4 p 50.05 178.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.715 ' H ' HG22 ' A' ' 113' ' ' VAL . 7.9 t-20 -159.9 153.7 22.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.752 ' HD2' ' HB2' ' A' ' 99' ' ' ALA . 0.0 OUTLIER -179.78 121.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.9 t -91.69 0.19 57.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.993 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.34 2.36 6.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.552 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.493 ' CB ' ' HB2' ' A' ' 115' ' ' TYR . 0.5 OUTLIER -117.66 -7.25 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 108.234 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.592 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -79.16 -46.24 1.68 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.1 Cg_endo -75.06 110.46 3.12 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.533 1.807 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.782 HG23 ' HB2' ' A' ' 89' ' ' ASN . 3.3 mm -94.89 179.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.712 ' H ' HG22 ' A' ' 121' ' ' ILE . 0.2 OUTLIER 55.84 95.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -176.62 89.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.586 1.179 . . . . 0.0 109.194 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.847 ' HB3' HD12 ' A' ' 91' ' ' ILE . 22.4 p-10 -129.08 175.01 9.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 53.87 60.27 3.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.421 ' NE2' ' HD2' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -54.93 113.23 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.365 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.1 86.89 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.421 ' HD2' ' NE2' ' A' ' 126' ' ' GLN . 0.0 OUTLIER -123.93 167.63 13.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 55.94 171.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -156.08 142.75 18.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.23 153.46 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.238 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -116.35 153.56 31.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.597 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 13.6 t80 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.592 1.183 . . . . 0.0 110.988 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.81 162.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.934 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 170.18 169.0 32.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.547 1.154 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.9 112.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.412 0.713 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.95 169.28 22.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 175.07 -39.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -48.48 147.64 2.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.395 1.06 . . . . 0.0 110.339 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -162.22 -70.25 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 62.23 148.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.27 119.53 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' O ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -167.4 114.13 0.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER 168.94 148.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 62.6 159.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.32 161.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -110.12 -57.21 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.502 ' O ' ' CG ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER 179.71 113.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.626 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 169.87 145.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 60.42 152.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -150.63 153.24 33.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.067 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.436 1.756 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 t0 40.3 -158.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.76 -67.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.83 -58.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.8 m -41.69 129.27 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 110.427 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.9 m 60.62 84.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 110.407 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.28 149.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.58 5.97 25.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.83 29.93 7.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.76 -62.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.247 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.419 ' HA ' HG21 ' A' ' 48' ' ' THR . 47.6 p90 -178.62 -36.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 70.94 -63.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.373 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.495 ' CD2' ' N ' ' A' ' 47' ' ' ARG . 9.7 t60 177.92 -75.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.644 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.498 ' CZ ' ' HB ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -59.56 -77.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.697 HG23 ' O ' ' A' ' 48' ' ' THR . 14.4 t 31.43 89.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.394 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.498 ' HB ' ' CZ ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -81.22 155.38 26.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.413 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 50' ' ' ILE . 96.6 mt 40.49 62.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 52' ' ' ASN . . . -51.57 -175.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 0.6 OUTLIER 81.86 -53.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 109.248 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.484 ' O ' ' CB ' ' A' ' 54' ' ' SER . 0.6 OUTLIER -106.44 -64.51 1.16 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.59 1.181 . . . . 0.0 111.052 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 53' ' ' PHE . 0.5 OUTLIER 159.72 -50.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.059 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.569 ' O ' ' CE2' ' A' ' 57' ' ' TYR . . . 117.33 145.83 8.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 111.061 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.61 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -74.99 -70.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.42 1.748 . . . . 0.0 110.98 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.61 ' CD1' ' O ' ' A' ' 56' ' ' PRO . 7.5 p90 41.01 -172.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 58' ' ' THR . 43.2 m -140.09 11.27 2.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 57' ' ' TYR . 4.3 p90 -117.53 169.52 9.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.074 . . . . 0.0 110.966 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.7 m -58.61 133.75 56.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 108.284 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.457 ' OD1' ' CE2' ' A' ' 57' ' ' TYR . 7.5 t30 -85.99 -172.06 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 13.9 t -100.77 134.85 43.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.46 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 t -174.69 151.59 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.362 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.811 ' O ' HD12 ' A' ' 64' ' ' LEU . 1.6 pp -120.45 117.33 27.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -84.34 -151.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -56.87 -16.66 7.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.503 ' CG2' ' HB ' ' A' ' 69' ' ' THR . 1.9 mm -99.05 105.37 17.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -33.26 -49.87 0.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.566 1.166 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.645 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -35.98 98.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 110.404 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.665 ' HB2' HD23 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -82.53 143.76 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.367 1.042 . . . . 0.0 108.332 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.69 ' CZ2' HG21 ' A' ' 113' ' ' VAL . 1.0 OUTLIER -115.85 109.94 44.68 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 108.004 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 82.31 2.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.474 1.776 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 72' ' ' PRO . 5.3 tm0? 59.2 148.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 73' ' ' GLN . 0.9 OUTLIER -154.54 168.37 26.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.026 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.58 151.06 55.2 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 77' ' ' GLY . 18.3 Cg_endo -74.95 158.0 42.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.444 1.76 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 76' ' ' PRO . . . 35.61 45.45 0.74 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.35 2.89 14.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 109.251 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.414 ' CD2' ' HG3' ' A' ' 102' ' ' GLU . 3.0 mm? 39.96 89.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.587 ' O ' HG12 ' A' ' 80' ' ' VAL . 76.7 t -84.9 61.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.367 1.042 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -78.05 167.52 21.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.429 ' N ' ' HD3' ' A' ' 83' ' ' PRO . 0.9 OUTLIER -164.12 62.9 1.07 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -74.99 98.14 1.14 Allowed 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.535 1.808 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 83' ' ' PRO . 52.0 m 58.88 159.44 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 108.297 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -49.05 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.485 1.781 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -147.9 156.32 42.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.588 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 6.3 p90 -88.64 32.01 0.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 93' ' ' TYR . 38.7 p90 -43.75 -50.42 7.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 111.042 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.554 ' N ' ' CD2' ' A' ' 88' ' ' PHE . 1.4 m-80 51.63 78.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.36 -44.1 1.22 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.584 HG23 ' N ' ' A' ' 92' ' ' LYS . 0.3 OUTLIER -79.3 170.26 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.584 ' N ' HG23 ' A' ' 91' ' ' ILE . 13.2 ttpt -79.1 129.15 34.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 3.2 p90 -79.18 167.79 20.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.685 HD22 ' N ' ' A' ' 94' ' ' ASN . 1.0 OUTLIER -96.97 2.07 51.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.233 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.535 ' CB ' ' O ' ' A' ' 94' ' ' ASN . 2.1 m 85.0 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.412 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.513 ' O ' ' C ' ' A' ' 97' ' ' ARG . 28.8 p 33.6 79.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.434 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.513 ' C ' ' O ' ' A' ' 96' ' ' THR . 13.0 mmt180 -28.72 96.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 96' ' ' THR . 0.9 OUTLIER -66.51 148.47 51.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.895 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . 178.89 174.89 0.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.792 ' C ' HG23 ' A' ' 113' ' ' VAL . 8.9 m-85 -127.67 129.33 46.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.57 ' HD3' ' CH2' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -126.77 82.87 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.351 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.414 ' HG3' ' CD2' ' A' ' 79' ' ' LEU . 32.8 tt0 -72.26 146.36 47.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.362 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.598 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -127.18 144.06 51.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.285 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 mt -89.92 156.47 18.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -76.39 0.6 19.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.67 -0.99 53.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.11 56.97 2.91 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.459 1.1 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 76.7 p -147.83 164.15 34.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 0.762 . . . . 0.0 110.444 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.598 ' CZ3' ' SG ' ' A' ' 103' ' ' CYS . 4.9 m95 -92.74 -179.78 5.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 108.018 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.04 -154.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -76.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.25 143.89 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.895 HG22 ' HB1' ' A' ' 99' ' ' ALA . 7.3 p -84.35 134.56 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 113' ' ' VAL . 0.9 OUTLIER 157.93 -37.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.659 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 46.3 p90 -64.64 69.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.58 ' HA ' ' CD1' ' A' ' 100' ' ' TYR . 0.2 OUTLIER -96.85 -26.58 15.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.98 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.561 ' CG ' ' O ' ' A' ' 116' ' ' SER . 15.5 p80 53.03 32.84 13.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.656 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.66 -20.52 17.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.083 . . . . 0.0 108.261 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.497 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 0.8 OUTLIER -62.49 -51.18 74.85 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.315 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.3 Cg_endo -74.98 60.4 5.42 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.557 1.819 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.6 tt -76.55 176.52 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.29 46.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -82.21 72.18 9.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -171.46 173.02 4.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -49.39 171.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.32 171.66 7.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.81 174.64 7.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 9.6 tptt -134.76 -60.98 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.556 ' CG ' ' N ' ' A' ' 130' ' ' ASP . 21.4 t80 54.19 170.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.556 ' N ' ' CG ' ' A' ' 129' ' ' TYR . 1.2 p30 174.18 166.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.42 178.38 3.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.95 123.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.549 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 10.2 t80 . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.06 168.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.751 . . . . 0.0 110.016 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -122.01 70.0 0.42 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.5 ptm -134.73 175.6 9.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 110.981 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.1 mttt 63.67 117.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -167.75 132.11 1.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -139.47 162.28 35.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.36 101.75 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.65 144.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.21 79.01 9.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -153.0 157.91 41.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -107.6 162.05 14.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -63.61 147.31 51.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.46 158.58 43.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.04 -46.54 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.447 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 0.1 OUTLIER 59.0 157.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.606 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.9 mtt -129.35 141.32 51.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.52 22.78 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.36 155.96 36.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.044 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.551 1.816 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.25 124.71 43.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.17 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.3 mt -147.23 -81.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 40.78 64.33 1.26 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 38' ' ' THR . 32.4 m -135.86 30.22 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 110.421 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 39' ' ' THR . 13.5 t -166.66 71.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.616 HD11 ' N ' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -53.27 173.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 pp -115.74 4.69 14.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.606 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -101.63 13.67 34.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.444 ' C ' ' CG ' ' A' ' 44' ' ' TYR . 42.8 mm-40 38.25 72.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.616 ' N ' HD11 ' A' ' 40' ' ' LEU . 2.1 m-85 67.3 92.15 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -78.26 83.05 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 108.258 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.57 ' HA ' HG21 ' A' ' 62' ' ' THR . 0.2 OUTLIER 179.3 140.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.599 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.456 ' HG3' HG22 ' A' ' 48' ' ' THR . 13.6 ptm180 -121.39 -50.01 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.514 ' O ' HG22 ' A' ' 49' ' ' THR . 2.7 t -178.4 -41.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 48' ' ' THR . 4.3 t 46.23 55.56 7.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 110.467 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.912 HG21 ' CD ' ' A' ' 56' ' ' PRO . 3.2 mt 48.22 76.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.227 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.95 -105.19 1.92 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -177.53 -38.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 0.0 109.357 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.683 ' CD2' ' O ' ' A' ' 53' ' ' PHE . 12.4 p90 -79.09 48.35 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.9 m 65.75 -174.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 165.81 -131.09 2.29 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.581 1.175 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.912 ' CD ' HG21 ' A' ' 50' ' ' ILE . 18.2 Cg_endo -74.96 -67.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.559 ' CE1' ' O ' ' A' ' 59' ' ' TYR . 68.9 t80 55.86 171.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.546 ' CB ' ' O ' ' A' ' 57' ' ' TYR . 0.9 OUTLIER 162.85 -25.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.559 ' O ' ' CE1' ' A' ' 57' ' ' TYR . 21.5 p90 -105.55 152.95 22.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 86.0 m -42.47 148.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.29 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -104.12 172.6 6.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.57 HG21 ' HA ' ' A' ' 46' ' ' HIS . 4.5 t -88.61 130.56 35.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.42 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 t -174.73 164.64 3.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.522 ' O ' HD12 ' A' ' 64' ' ' LEU . 2.0 pp -126.33 119.56 27.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.462 ' OD2' HD12 ' A' ' 67' ' ' ILE . 4.3 p-10 -90.37 -169.36 2.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.232 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' ASP . 49.0 tt0 -37.39 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.978 HG21 ' OD1' ' A' ' 114' ' ' ASN . 4.2 mp -91.05 103.61 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -31.75 -39.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.654 ' HB ' HG22 ' A' ' 67' ' ' ILE . 1.4 m -43.04 94.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' GLY . 8.0 t -82.93 154.73 24.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 108.259 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.593 ' CZ3' HG12 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -126.25 118.38 23.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 108.005 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.97 72.58 4.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.962 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.407 ' HG2' ' N ' ' A' ' 74' ' ' SER . 5.7 tm0? 59.86 146.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.326 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.455 ' OG ' ' CZ2' ' A' ' 109' ' ' TRP . 1.2 m -144.47 172.34 13.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.66 150.89 41.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 147.48 34.22 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.577 1.83 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 38.64 39.04 0.76 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.88 2.08 23.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.408 HD13 ' HB3' ' A' ' 102' ' ' GLU . 0.7 OUTLIER 54.71 98.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.669 ' O ' HG12 ' A' ' 80' ' ' VAL . 53.4 t -95.09 60.72 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.588 ' CG ' ' CD2' ' A' ' 100' ' ' TYR . 0.8 OUTLIER -79.47 144.36 34.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.173 . . . . 0.0 110.245 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.882 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 5.1 ptp180 177.2 150.89 0.37 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.46 ' C ' ' HD3' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -74.94 -160.22 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.549 1.815 . . . . 0.0 110.991 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.602 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -131.45 63.58 70.15 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 108.308 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.46 ' HD3' ' C ' ' A' ' 83' ' ' PRO . 18.2 Cg_endo -75.0 68.41 5.76 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.553 1.817 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.567 ' O ' ' C ' ' A' ' 87' ' ' TYR . 5.6 pt-20 168.01 126.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.567 ' C ' ' O ' ' A' ' 86' ' ' GLU . 31.2 m-85 -21.0 93.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.723 ' CZ ' ' CG2' ' A' ' 91' ' ' ILE . 8.4 p90 -107.13 -0.44 22.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 89' ' ' ASN . 34.0 p30 172.92 53.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.54 -51.03 2.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.723 ' CG2' ' CZ ' ' A' ' 88' ' ' PHE . 0.7 OUTLIER -77.27 129.39 37.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 0.739 . . . . 0.0 109.266 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -78.27 -138.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.421 ' HB3' ' HA ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -112.66 66.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -118.9 -38.56 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.466 ' OG1' ' N ' ' A' ' 96' ' ' THR . 0.2 OUTLIER -74.84 173.55 10.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.419 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 96' ' ' THR . 9.1 t -104.77 51.36 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.362 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.45 ' NH1' ' OG1' ' A' ' 95' ' ' THR . 15.3 mmp_? -78.39 166.82 22.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 110.237 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 -143.47 155.36 44.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 82' ' ' ARG . . . -134.42 174.02 10.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.588 ' CD2' ' CG ' ' A' ' 81' ' ' GLU . 53.8 m-85 -153.34 136.36 15.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.994 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.583 ' HG3' ' CZ2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -140.51 38.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -35.31 126.29 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.605 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 1.0 OUTLIER -90.29 148.9 22.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 108.276 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.4 mp -86.43 150.35 24.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.081 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -77.46 1.65 18.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -96.82 2.69 52.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 79.19 45.2 9.05 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.5 p -134.81 157.13 47.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.741 . . . . 0.0 110.384 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.625 ' HH2' HG11 ' A' ' 80' ' ' VAL . 0.4 OUTLIER -77.82 -169.39 1.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 107.975 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.57 -167.38 1.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.227 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 p -87.21 -43.02 12.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.986 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -168.59 158.34 9.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.881 HG12 HD13 ' A' ' 67' ' ' ILE . 9.9 p -118.17 166.84 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.978 ' OD1' HG21 ' A' ' 67' ' ' ILE . 16.2 m120 61.85 97.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 100' ' ' TYR . 4.1 p90 -177.26 -37.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.472 ' O ' ' CG ' ' A' ' 117' ' ' HIS . 0.1 OUTLIER -57.43 -18.9 20.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.472 ' CG ' ' O ' ' A' ' 116' ' ' SER . 1.6 m-70 171.58 41.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.585 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.604 ' SG ' ' CD2' ' A' ' 88' ' ' PHE . 17.1 t -127.19 -58.51 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 108.239 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 1.4 tp10 -54.13 -53.29 60.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.383 1.052 . . . . 0.0 110.258 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.1 Cg_endo -74.99 66.36 6.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.392 1.733 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.752 HD13 ' C ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -97.87 118.58 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.58 ' N ' HD13 ' A' ' 121' ' ' ILE . 0.5 OUTLIER -40.56 104.74 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.288 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -170.47 62.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.04 173.39 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 126' ' ' GLN . 0.0 OUTLIER -147.16 51.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 125' ' ' LYS . 0.7 OUTLIER 37.72 56.15 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.37 164.97 0.43 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.531 1.145 . . . . 0.0 110.361 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.82 -58.54 2.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.23 176.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.72 116.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 12.2 tp -173.81 134.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 53.59 172.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.637 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 52.1 t80 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.951 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 m 62.84 150.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 0.743 . . . . 0.0 109.999 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 18' ' ' MET . . . -96.88 -90.66 1.85 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' GLY . 19.3 mmm 37.81 77.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 111.041 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.43 130.07 3.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.539 ' OE2' ' HB2' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -76.91 147.07 37.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.6 p -109.99 -44.29 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.389 1.055 . . . . 0.0 110.331 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -158.76 -64.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.539 ' HB2' ' OE2' ' A' ' 20' ' ' GLU . . . 69.84 165.98 0.28 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.077 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.12 176.55 8.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.94 135.72 20.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.439 ' O ' ' CB ' ' A' ' 27' ' ' GLU . 19.3 p90 -176.76 167.23 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 111.023 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 0.6 OUTLIER 82.24 172.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? 65.16 86.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -110.79 -55.31 2.5 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 110.345 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.3 148.84 0.19 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.62 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -162.95 127.21 2.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.446 1.092 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -170.26 166.98 8.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -136.97 157.31 74.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.456 1.766 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.63 135.94 51.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.96 -71.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 38' ' ' THR . . . 48.44 91.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 37' ' ' GLY . 67.6 p 37.38 -155.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.761 . . . . 0.0 110.424 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 39' ' ' THR . 1.2 m -80.47 67.4 6.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.746 HD12 HE22 ' A' ' 43' ' ' GLN . 1.1 mt 58.59 -147.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.236 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.479 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.9 pp -103.67 29.17 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 44' ' ' TYR . 2.9 mp0 45.84 60.14 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.746 HE22 HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -38.68 97.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.429 ' N ' ' O ' ' A' ' 42' ' ' GLU . 0.7 OUTLIER 179.5 142.74 0.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 68.33 102.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 108.308 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -69.81 149.41 47.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.496 ' C ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -101.06 -30.12 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.496 HG22 ' C ' ' A' ' 47' ' ' ARG . 2.1 t 44.91 45.75 8.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 50' ' ' ILE . 12.8 t -61.66 -155.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.42 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.418 ' N ' ' OG1' ' A' ' 49' ' ' THR . 1.8 tt -39.34 136.84 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 39.78 -105.8 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.544 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 34.7 m-80 -105.1 -64.38 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 109.212 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -163.39 138.39 6.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.82 -55.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.69 97.56 0.05 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.445 1.09 . . . . 0.0 110.977 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -64.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.055 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -99.22 179.88 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.2 m -96.77 105.38 17.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.402 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.473 ' CB ' ' HD3' ' A' ' 76' ' ' PRO . 10.3 p90 -121.94 170.95 9.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HB2' ' CA ' ' A' ' 74' ' ' SER . 8.6 m -40.39 146.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 108.296 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -112.28 171.04 7.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 8.8 t -88.2 129.72 35.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 110.38 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -171.5 158.9 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.364 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 pp -100.58 147.14 26.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' OD2' ' NH1' ' A' ' 101' ' ' ARG . 1.5 t70 -105.52 -152.85 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.397 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.47 -7.18 59.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.766 HD12 ' CG1' ' A' ' 113' ' ' VAL . 3.6 mt -104.13 37.6 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.347 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 31.9 45.87 0.19 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.432 ' O ' ' CG2' ' A' ' 69' ' ' THR . 5.2 t -124.68 114.92 19.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.28 104.25 14.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.556 1.16 . . . . 0.0 108.303 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.55 ' CZ3' HG12 ' A' ' 80' ' ' VAL . 67.6 m95 -79.23 128.63 75.13 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 107.992 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.01 74.9 3.86 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 62' ' ' THR . 4.7 mt-30 54.2 167.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.49 ' OG ' ' CZ2' ' A' ' 109' ' ' TRP . 1.7 m -169.2 174.65 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.28 147.49 33.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 59' ' ' TYR . 18.4 Cg_endo -75.01 154.16 42.24 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.431 1.753 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 52.77 19.47 6.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.155 . . . . 0.0 111.059 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.04 -154.62 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 0.782 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.02 96.53 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.612 HG21 ' CH2' ' A' ' 109' ' ' TRP . 2.3 t -90.35 62.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 99' ' ' ALA . 0.4 OUTLIER -95.16 140.79 29.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.449 ' H ' ' HB3' ' A' ' 99' ' ' ALA . 69.4 mtt-85 -134.44 62.03 52.83 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.501 ' HB3' ' CB ' ' A' ' 98' ' ' ASN . 18.3 Cg_endo -75.02 166.52 29.01 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.571 1.827 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.683 ' SG ' HG21 ' A' ' 96' ' ' THR . 1.7 p -126.92 98.88 29.9 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 108.274 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -171.25 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.498 ' HA ' ' HA ' ' A' ' 92' ' ' LYS . 19.0 pt-20 -41.06 153.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.456 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 34.0 t80 43.87 82.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.622 ' CE1' ' O ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -122.54 -2.49 8.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 88' ' ' PHE . 8.8 p30 155.15 -22.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -147.07 -108.97 0.55 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.161 . . . . 0.0 110.958 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.622 ' O ' ' CE1' ' A' ' 88' ' ' PHE . 1.4 tp -78.91 -179.71 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 0.727 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 86' ' ' GLU . 3.6 ptpt -78.55 -173.31 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.605 ' O ' ' CG ' ' A' ' 93' ' ' TYR . 19.5 p90 -88.64 114.83 25.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.538 ' ND2' ' N ' ' A' ' 94' ' ' ASN . 0.0 OUTLIER -122.1 -42.16 2.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.32 61.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.379 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.683 HG21 ' SG ' ' A' ' 84' ' ' CYS . 9.9 t -89.58 20.38 4.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.482 ' O ' ' C ' ' A' ' 98' ' ' ASN . 3.3 mpt_? 48.6 62.45 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.349 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.501 ' CB ' ' HB3' ' A' ' 83' ' ' PRO . 0.4 OUTLIER -34.16 145.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.238 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.63 ' HB1' ' O ' ' A' ' 114' ' ' ASN . . . -92.47 147.93 22.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 35.3 p90 177.03 130.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.613 ' HG2' ' HB3' ' A' ' 110' ' ' ALA . 0.0 OUTLIER -140.26 66.59 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.248 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' ARG . 1.1 pm0 -37.25 122.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -86.27 121.77 29.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 108.298 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.3 mt -56.89 163.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.86 0.7 17.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.08 -2.68 42.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.94 36.86 17.45 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.403 ' O ' ' SG ' ' A' ' 103' ' ' CYS . 26.0 p -120.72 168.0 11.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 110.417 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.612 ' CH2' HG21 ' A' ' 80' ' ' VAL . 76.0 m95 -89.19 -172.03 3.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 108.049 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.613 ' HB3' ' HG2' ' A' ' 101' ' ' ARG . . . -99.39 -141.95 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.0 -46.19 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 110.001 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.48 117.05 32.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.766 ' CG1' HD12 ' A' ' 67' ' ' ILE . 10.9 p -114.78 163.42 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.63 ' O ' ' HB1' ' A' ' 99' ' ' ALA . 13.8 m-20 -158.43 172.33 18.53 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.627 ' CD1' ' O ' ' A' ' 114' ' ' ASN . 0.0 OUTLIER -164.83 -70.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.9 p -68.97 -99.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.947 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 48.57 23.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.594 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.4 ' O ' HG22 ' A' ' 121' ' ' ILE . 0.1 OUTLIER -116.3 -38.89 3.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 108.304 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.535 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -45.61 -49.3 36.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.592 1.182 . . . . 0.0 110.327 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.1 Cg_endo -75.08 52.07 2.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.573 1.828 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.584 HG21 ' CE1' ' A' ' 88' ' ' PHE . 0.4 OUTLIER -136.21 -175.73 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.666 HD12 ' H ' ' A' ' 124' ' ' ASP . 0.2 OUTLIER 55.3 -179.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -179.29 38.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.666 ' H ' HD12 ' A' ' 122' ' ' LEU . 25.1 t0 178.11 164.28 0.69 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.74 131.43 34.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.52 124.11 26.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.97 144.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.66 153.96 33.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -63.46 166.25 6.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -151.28 166.0 32.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 70.45 124.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -162.49 93.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.435 1.084 . . . . 0.0 111.059 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -131.84 174.86 9.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 0.795 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.42 129.48 2.47 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -178.91 174.93 1.06 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.442 0.731 . . . . 0.0 110.978 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt 67.15 -73.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' MET . 0.9 OUTLIER 63.91 173.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.594 1.184 . . . . 0.0 110.305 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.0 t -164.94 153.24 11.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.28 -54.2 1.03 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.57 1.169 . . . . 0.0 109.273 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 62.52 135.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.451 ' O ' ' CD2' ' A' ' 26' ' ' PHE . . . -152.85 -179.8 7.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 tptp -40.69 103.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 23.8 m-85 -103.24 174.77 5.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 8.0 pt-20 47.53 -174.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 53.59 20.55 2.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.77 -73.58 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.177 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 175.86 106.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.602 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 14.6 ptt? -146.6 26.77 1.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.1 t0 54.21 171.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 m -41.62 151.77 0.3 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.441 1.758 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -68.3 154.99 40.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.25 -79.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.6 165.18 30.61 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 t -171.66 39.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 110.383 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 t -129.08 32.89 4.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.84 162.63 39.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.16 10.52 39.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 42' ' ' GLU . 1.5 tm-20 -120.25 15.63 12.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -69.25 -55.61 10.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CE1' ' HB3' ' A' ' 70' ' ' CYS . 25.3 p90 -82.39 48.1 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.662 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 12.4 m -140.04 -69.78 0.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 108.324 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.662 ' CD2' ' O ' ' A' ' 45' ' ' CYS . 1.1 p-80 40.65 27.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.662 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.822 ' O ' HG23 ' A' ' 49' ' ' THR . 1.5 mpt_? -115.28 -87.07 0.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 48' ' ' THR . 1.3 t 39.35 33.56 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.427 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 47' ' ' ARG . 4.8 p -99.46 -177.51 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.5 OUTLIER 38.86 90.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.24 -70.44 0.15 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.435 1.085 . . . . 0.0 111.046 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.1 m-20 -112.22 -14.19 13.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -178.16 151.92 0.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.12 73.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.403 ' C ' ' HA ' ' A' ' 50' ' ' ILE . . . 127.89 147.88 6.68 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.438 ' O ' ' HB2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.07 -92.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.772 ' OH ' HG22 ' A' ' 108' ' ' THR . 0.4 OUTLIER 177.39 -144.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 58' ' ' THR . 54.1 m 63.08 33.42 14.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.554 ' CD1' ' HA ' ' A' ' 75' ' ' ALA . 87.5 t80 -172.65 143.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' SER . 4.5 m -74.85 131.23 40.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 108.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 49' ' ' THR . 15.8 t-20 -113.9 164.25 14.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.465 ' CG2' ' SG ' ' A' ' 70' ' ' CYS . 71.8 m -69.62 118.26 12.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 110.372 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.67 158.46 44.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.178 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 pp -129.83 118.52 21.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.442 1.088 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -93.01 -152.94 0.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.605 1.191 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -47.64 -23.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.536 ' CG2' ' HB ' ' A' ' 69' ' ' THR . 3.2 mm -96.08 104.06 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -34.13 -49.21 0.62 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.536 ' HB ' ' CG2' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -38.77 112.0 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 0.738 . . . . 0.0 110.394 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.495 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -89.38 122.96 33.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.83 ' CZ2' HG21 ' A' ' 113' ' ' VAL . 58.0 m95 -92.46 141.9 25.3 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 108.017 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 71' ' ' TRP . 18.3 Cg_endo -75.05 149.94 37.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.57 1.826 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.453 ' N ' ' OG1' ' A' ' 62' ' ' THR . 0.0 OUTLIER -49.87 163.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.322 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.53 ' O ' ' CE1' ' A' ' 59' ' ' TYR . 16.6 m -165.92 -174.49 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -101.41 168.72 8.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.597 1.186 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.604 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.1 Cg_endo -75.06 147.27 33.48 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.0 29.82 76.39 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.444 1.09 . . . . 0.0 111.09 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.75 -148.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 0.727 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.734 HD12 ' HG2' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -171.76 83.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.613 1.196 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.72 ' O ' HG12 ' A' ' 80' ' ' VAL . 43.9 t -100.3 60.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.734 ' HG2' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -95.61 134.42 38.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 13.9 ptp180 -156.75 62.58 2.87 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.34 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 84' ' ' CYS . 18.3 Cg_endo -74.91 141.59 27.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.487 ' CA ' ' HB3' ' A' ' 98' ' ' ASN . 0.8 OUTLIER -38.24 98.87 0.18 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.155 . . . . 0.0 108.304 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.517 ' O ' ' O ' ' A' ' 86' ' ' GLU . 18.4 Cg_endo -74.9 16.3 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.582 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -37.53 163.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.47 ' O ' ' O ' ' A' ' 89' ' ' ASN . 6.1 p90 -71.88 -27.08 62.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CD2' HD11 ' A' ' 121' ' ' ILE . 0.3 OUTLIER -42.65 -26.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.493 ' ND2' ' CE1' ' A' ' 88' ' ' PHE . 28.7 p30 -106.62 -167.06 1.24 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -95.89 55.63 1.6 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.651 HD13 ' H ' ' A' ' 92' ' ' LYS . 0.3 OUTLIER -168.79 142.95 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 0.78 . . . . 0.0 109.256 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.651 ' H ' HD13 ' A' ' 91' ' ' ILE . 7.1 mttt -81.85 148.43 28.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.472 ' HB3' ' C ' ' A' ' 85' ' ' PRO . 48.9 p90 -108.46 147.21 31.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -119.24 -39.09 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.6 p -108.71 -167.22 1.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.8 t -121.9 -39.87 2.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.9 mtt85 -56.98 114.65 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.568 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 0.5 OUTLIER -115.99 125.97 53.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.705 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . 172.12 111.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.229 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.719 ' CE2' ' CE2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -101.46 140.55 35.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 111.095 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.68 ' HG3' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -148.67 123.04 9.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -95.93 153.67 17.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 108' ' ' THR . 0.1 OUTLIER -111.83 122.08 46.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 108.302 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 mt -62.96 177.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.355 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.88 1.5 46.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.634 1.209 . . . . 0.0 110.231 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.52 -0.12 43.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.421 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 80.79 35.79 24.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.772 HG22 ' OH ' ' A' ' 57' ' ' TYR . 66.2 p -118.5 168.29 10.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 0.781 . . . . 0.0 110.452 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.605 ' HH2' HG21 ' A' ' 80' ' ' VAL . 21.2 m95 -91.36 -173.54 3.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 108.011 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.55 -168.5 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 m -84.12 -59.98 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.981 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.591 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -136.89 131.33 32.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.83 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 3.0 p -81.32 -176.05 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.726 ' H ' HG22 ' A' ' 113' ' ' VAL . 1.8 t-20 83.23 -64.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.719 ' CE2' ' CE2' ' A' ' 100' ' ' TYR . 46.8 m-85 55.97 116.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 84.8 p -77.33 1.37 19.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.476 ' O ' ' N ' ' A' ' 119' ' ' GLU . 50.8 m-70 -91.48 24.92 2.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.534 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.476 ' SG ' ' N ' ' A' ' 84' ' ' CYS . 2.7 t -67.86 70.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 108.269 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 117' ' ' HIS . 2.1 mm-40 57.51 92.43 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.59 1.181 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.52 ' HB2' HD23 ' A' ' 122' ' ' LEU . 18.5 Cg_endo -75.03 131.71 14.57 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.593 HD11 ' CD2' ' A' ' 88' ' ' PHE . 42.5 mm -54.76 92.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.885 ' O ' HD12 ' A' ' 122' ' ' LEU . 3.9 pp -175.15 43.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -98.22 -171.16 2.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 60.57 156.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.87 162.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.75 177.62 6.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.15 139.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -112.06 167.59 10.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.11 174.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.4 t0 178.95 167.9 0.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 70.08 178.56 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.65 133.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.57 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -141.79 153.69 44.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 0.781 . . . . 0.0 110.021 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.8 -173.68 38.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.6 mtm -141.0 127.06 19.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.72 66.67 9.57 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -75.49 171.22 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 m -152.83 80.72 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.08 57.32 2.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -170.51 174.4 5.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 63.3 137.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.08 175.98 3.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -110.45 167.91 9.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -134.8 129.37 34.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 110.309 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 45.29 78.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -119.26 -45.48 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.91 -171.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.614 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -171.54 33.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.08 22.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 m -146.54 154.41 48.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.944 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.483 1.781 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -41.8 136.92 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tp -98.42 58.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.357 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.601 ' O ' HG22 ' A' ' 38' ' ' THR . . . -73.46 81.18 0.73 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 37' ' ' GLY . 9.5 t 47.17 -172.54 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.511 0.771 . . . . 0.0 110.355 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.436 ' N ' ' OG1' ' A' ' 38' ' ' THR . 2.9 m -87.18 93.15 9.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.435 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.695 HD21 ' OE1' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -44.52 149.54 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.504 ' O ' HD23 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -97.56 11.05 38.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' GLN . 3.9 tt0 -119.71 24.25 10.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.695 ' OE1' HD21 ' A' ' 40' ' ' LEU . 1.7 tp-100 -38.7 -73.12 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 110.261 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -94.68 169.9 9.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.1 m 63.34 127.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.269 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -169.38 115.48 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.171 . . . . 0.0 109.552 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.608 ' O ' HG22 ' A' ' 48' ' ' THR . 16.0 ptm180 -109.49 2.41 20.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.367 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 47' ' ' ARG . 6.2 t 47.91 50.64 15.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.413 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.3 p 38.6 -155.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 50' ' ' ILE . 4.1 mm -85.39 -63.26 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' ' N ' ' A' ' 53' ' ' PHE . . . -174.11 -174.88 41.3 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.553 1.158 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.5 m120 44.55 27.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 0.81 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.485 ' O ' ' CB ' ' A' ' 54' ' ' SER . 21.0 m-85 44.86 93.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 53' ' ' PHE . 0.8 OUTLIER 85.06 49.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.566 1.166 . . . . 0.0 109.933 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.34 -131.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 111.095 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.586 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 18.0 Cg_endo -75.03 -81.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.667 ' CD1' ' N ' ' A' ' 58' ' ' THR . 0.1 OUTLIER 45.87 178.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.667 ' N ' ' CD1' ' A' ' 57' ' ' TYR . 0.8 OUTLIER 162.44 -22.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.437 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.468 ' O ' ' C ' ' A' ' 60' ' ' CYS . 18.1 p90 -76.73 171.2 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 59' ' ' TYR . 15.1 m -36.74 133.89 0.53 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 108.264 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.508 ' ND2' ' H ' ' A' ' 62' ' ' THR . 3.9 t30 -101.03 -173.25 2.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.071 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.508 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 10.9 t -97.94 136.0 38.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 t -176.38 158.92 1.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.182 . . . . 0.0 110.444 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 41' ' ' LEU . 1.2 pp -110.25 175.51 5.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD2' ' NH2' ' A' ' 101' ' ' ARG . 2.2 t0 -121.57 -160.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -84.95 1.02 49.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 69' ' ' THR . 0.8 OUTLIER -115.55 38.34 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 35.47 49.35 0.94 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -114.25 85.55 2.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 110.413 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.0 t -72.19 118.46 15.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.278 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.765 ' CE3' HG11 ' A' ' 80' ' ' VAL . 54.0 m95 -111.43 121.18 40.91 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 108.042 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.1 Cg_endo -75.02 154.02 42.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.479 ' HG3' ' CD ' ' A' ' 47' ' ' ARG . 4.1 mt-30 -37.62 150.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.392 1.058 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -158.07 170.42 22.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.021 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.405 ' O ' ' SG ' ' A' ' 60' ' ' CYS . . . -78.2 154.56 79.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' A' ' 59' ' ' TYR . 18.2 Cg_endo -75.0 149.43 36.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.64 21.06 78.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.146 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.55 -161.62 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.66 107.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.377 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.765 HG11 ' CE3' ' A' ' 71' ' ' TRP . 49.0 t -86.15 53.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.506 ' O ' ' CG ' ' A' ' 82' ' ' ARG . 6.2 mt-10 -78.73 146.37 33.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.59 ' NH2' HG13 ' A' ' 80' ' ' VAL . 24.5 mtt-85 -161.94 120.76 1.42 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.399 1.062 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.682 ' HD2' HG21 ' A' ' 95' ' ' THR . 18.2 Cg_endo -74.95 160.31 40.46 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.508 ' O ' ' CD2' ' A' ' 93' ' ' TYR . 2.7 m -57.28 148.18 54.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 108.337 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 178.55 7.09 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.801 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -78.24 125.42 29.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.05 -50.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.642 ' CD1' ' N ' ' A' ' 89' ' ' ASN . 30.0 p90 -100.3 -40.23 7.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.642 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 15.9 p30 -88.51 161.92 16.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -89.88 44.24 2.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.117 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.737 HG21 ' CD2' ' A' ' 93' ' ' TYR . 0.8 OUTLIER -107.07 -170.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.423 ' N ' HG23 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -141.94 65.45 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.737 ' CD2' HG21 ' A' ' 91' ' ' ILE . 5.8 m-85 -85.15 144.85 27.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.438 HD22 ' N ' ' A' ' 94' ' ' ASN . 2.2 m-80 -105.07 -25.84 12.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.682 HG21 ' HD2' ' A' ' 83' ' ' PRO . 2.5 p -40.66 131.7 2.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.43 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 67.3 p -45.84 -61.06 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.476 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -149.91 170.23 19.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.082 . . . . 0.0 110.372 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.585 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 8.6 p30 -62.19 161.36 11.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.568 ' HA ' ' CD1' ' A' ' 115' ' ' TYR . . . 174.67 -177.32 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.338 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.435 ' CB ' ' O ' ' A' ' 99' ' ' ALA . 0.1 OUTLIER 166.93 59.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.63 ' HG3' HG22 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -96.22 169.83 9.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.241 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -131.87 153.0 50.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.363 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.58 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -117.72 128.98 55.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.318 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.55 ' HB2' HG23 ' A' ' 108' ' ' THR . 6.6 mt -70.18 163.92 25.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.429 1.081 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -80.83 1.39 30.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.233 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.57 -0.43 45.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.76 53.91 3.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.55 HG23 ' HB2' ' A' ' 104' ' ' LEU . 0.6 OUTLIER -146.3 175.05 10.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.341 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.58 ' CZ3' ' SG ' ' A' ' 103' ' ' CYS . 89.4 m95 -108.64 -171.2 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 108.001 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.06 179.36 4.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.343 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.1 m -58.49 -50.37 73.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.092 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -160.42 155.82 25.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.428 1.08 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.63 HG22 ' HG3' ' A' ' 101' ' ' ARG . 2.5 t -67.35 142.92 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.51 ' ND2' ' H ' ' A' ' 116' ' ' SER . 0.5 OUTLIER -50.0 -59.9 3.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 98' ' ' ASN . 0.4 OUTLIER 35.25 43.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.51 ' H ' ' ND2' ' A' ' 114' ' ' ASN . 0.3 OUTLIER -123.34 -0.46 8.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.031 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 119' ' ' GLU . 7.8 m80 -139.49 51.96 1.74 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.576 1.173 . . . . 0.0 109.628 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.418 ' C ' ' SG ' ' A' ' 84' ' ' CYS . 40.4 t -69.55 67.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 108.278 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 117' ' ' HIS . 39.3 mm-40 50.62 84.15 0.21 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 121' ' ' ILE . 18.1 Cg_endo -75.08 60.42 5.5 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.433 1.754 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.706 HG22 ' O ' ' A' ' 121' ' ' ILE . 3.9 mm 39.28 82.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.136 . . . . 0.0 109.367 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.5 tp -143.44 108.86 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -173.07 66.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.432 1.082 . . . . 0.0 109.26 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -170.62 167.38 7.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -151.05 72.61 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -95.51 112.73 24.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -178.17 161.54 1.49 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.437 1.086 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.23 110.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.243 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 129' ' ' TYR . 17.1 p90 -154.51 141.59 19.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 176.75 165.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.2 tp -165.79 115.02 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -165.99 173.12 10.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.597 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 4.9 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 111.019 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.7 t 65.83 100.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 0.736 . . . . 0.0 110.007 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -111.92 -157.76 14.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.42 170.87 15.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 0.804 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.59 145.95 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.14 143.45 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.3 t -172.74 149.6 2.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -160.5 163.4 32.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . -165.29 158.61 16.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.357 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 23' ' ' ALA . . . -179.44 153.23 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.05 172.95 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -118.34 174.23 6.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.81 153.51 45.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -123.48 168.28 12.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -93.31 -55.64 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 56.81 164.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.65 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 tpt -177.79 159.2 1.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.404 1.065 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.05 163.28 9.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.417 1.073 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.38 160.19 27.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.953 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.452 1.764 . . . . 0.0 111.06 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.47 132.39 56.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mt -138.13 66.19 1.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.34 52.4 36.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.478 ' HB ' ' CD1' ' A' ' 41' ' ' LEU . 7.5 m -68.7 -134.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.786 . . . . 0.0 110.404 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.428 ' H ' HG22 ' A' ' 38' ' ' THR . 24.9 m -71.52 103.48 2.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.448 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 mp 61.16 -109.23 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.478 ' CD1' ' HB ' ' A' ' 38' ' ' THR . 0.7 OUTLIER 54.53 18.19 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 3.8 tt0 76.47 33.09 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.528 ' HG3' ' CD1' ' A' ' 44' ' ' TYR . 4.2 pt20 -46.54 172.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.528 ' CD1' ' HG3' ' A' ' 43' ' ' GLN . 2.4 p90 -37.23 118.85 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' HIS . 20.1 m -134.03 -58.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 108.243 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -43.73 165.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.557 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.418 ' O ' ' HB ' ' A' ' 48' ' ' THR . 7.3 ptm180 -120.34 -47.86 2.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.449 ' C ' HG23 ' A' ' 49' ' ' THR . 0.4 OUTLIER 177.37 -38.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.351 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.776 ' O ' HG22 ' A' ' 50' ' ' ILE . 2.2 p 57.72 110.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.428 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.799 HG21 ' HA3' ' A' ' 55' ' ' GLY . 8.6 tt 52.91 172.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.64 50.16 4.36 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.545 1.153 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.1 t30 179.3 142.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.358 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -58.08 126.77 28.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m 50.63 75.03 0.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.585 1.178 . . . . 0.0 109.945 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.799 ' HA3' HG21 ' A' ' 50' ' ' ILE . . . -70.92 -150.81 0.71 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.585 ' HD3' HD13 ' A' ' 50' ' ' ILE . 18.6 Cg_endo -74.97 -91.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.542 1.811 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.489 ' HA ' ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER 175.32 -143.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 111.027 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 58' ' ' THR . 53.2 m 67.91 11.21 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.501 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 7.9 p90 -130.76 146.56 52.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' SER . 5.8 m -50.26 131.35 23.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -105.65 165.29 11.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 52.4 m -64.75 119.96 11.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.0 m -143.61 136.09 27.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -146.77 165.27 30.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.642 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -169.42 -160.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' ASP . 1.6 mm-40 -36.59 -54.26 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.572 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -133.85 59.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.615 ' O ' ' CD1' ' A' ' 71' ' ' TRP . . . -99.08 -2.99 56.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.726 ' CG2' ' CZ2' ' A' ' 71' ' ' TRP . 3.0 t 38.49 28.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 68' ' ' GLY . 0.6 OUTLIER 50.02 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 108.272 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.726 ' CZ2' ' CG2' ' A' ' 69' ' ' THR . 88.4 m95 -98.61 110.5 57.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 108.0 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.1 Cg_endo -74.98 148.81 35.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.585 ' HG2' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -39.0 159.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' CYS . 1.1 m -164.75 -174.77 3.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.04 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.65 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -100.73 169.31 8.02 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.65 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -74.99 154.65 42.71 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.435 1.755 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 60.8 47.56 90.59 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.568 1.168 . . . . 0.0 111.12 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -126.86 125.05 40.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.08 85.72 7.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.737 ' O ' HG12 ' A' ' 80' ' ' VAL . 41.2 t -75.26 59.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -91.69 141.82 28.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -129.76 68.69 80.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 103.03 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.9 m 60.28 156.29 0.1 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.279 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.456 ' HG3' ' CB ' ' A' ' 95' ' ' THR . 18.4 Cg_endo -75.03 -91.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.808 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.59 ' OE2' ' CD1' ' A' ' 88' ' ' PHE . 7.1 tt0 -40.44 162.65 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.583 1.177 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.51 ' O ' ' C ' ' A' ' 88' ' ' PHE . 1.4 t80 -95.27 -53.1 3.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.608 ' CG ' ' N ' ' A' ' 89' ' ' ASN . 2.6 p90 -27.96 -44.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.962 ' ND2' HD11 ' A' ' 121' ' ' ILE . 0.1 OUTLIER -154.24 -68.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.088 . . . . 0.0 109.208 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.436 ' O ' ' HD2' ' A' ' 85' ' ' PRO . . . 159.0 -51.51 0.39 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.614 HG23 ' O ' ' A' ' 91' ' ' ILE . 10.5 tp -75.44 86.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 0.747 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 0.0 OUTLIER 179.18 38.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.44 ' HB2' ' HG2' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -170.29 168.92 7.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.551 HD22 ' N ' ' A' ' 95' ' ' THR . 0.1 OUTLIER -52.06 -99.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.551 ' N ' HD22 ' A' ' 94' ' ' ASN . 6.2 m 61.06 116.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.407 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.0 m -81.33 -32.75 32.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.368 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 179.89 131.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.234 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.528 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 1.3 m-80 -64.25 179.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.674 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . 173.64 170.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 99' ' ' ALA . 22.9 m-85 -143.23 139.42 30.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -136.01 127.52 28.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -110.65 145.92 37.11 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.3 OUTLIER -120.74 112.91 19.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.3 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.2 mt -56.88 178.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -83.39 1.39 41.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.83 1.63 40.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.58 23.02 61.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.0 p -105.4 151.37 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.466 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.669 ' HH2' HG21 ' A' ' 80' ' ' VAL . 10.6 m95 -75.07 -171.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.93 -151.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.2 p -85.35 -71.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.93 150.31 49.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.674 HG22 ' HB1' ' A' ' 99' ' ' ALA . 9.3 p -107.71 109.27 27.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.571 ' O ' ' CG ' ' A' ' 115' ' ' TYR . 4.3 p-10 175.91 119.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.571 ' CG ' ' O ' ' A' ' 114' ' ' ASN . 84.1 m-85 -165.59 115.12 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 111.051 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.4 ' C ' ' N ' ' A' ' 118' ' ' CYS . 15.8 m -76.06 -98.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 54.7 15.59 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.546 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.4 ' N ' ' C ' ' A' ' 116' ' ' SER . 13.2 t -122.01 -43.95 2.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 108.287 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.552 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 0.7 OUTLIER -46.65 -48.61 48.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.352 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.3 Cg_endo -74.98 57.72 4.65 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 111.048 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.962 HD11 ' ND2' ' A' ' 89' ' ' ASN . 4.5 tt -96.38 53.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 121' ' ' ILE . 0.3 OUTLIER 38.87 47.29 1.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.1 t70 178.52 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -176.4 169.13 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.364 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.74 126.91 45.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.15 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -45.97 168.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -134.14 55.72 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.5 pttt 41.71 81.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -115.08 139.06 50.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 171.27 161.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.39 113.38 1.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.484 ' O ' ' C ' ' A' ' 133' ' ' TYR . 0.3 OUTLIER 179.9 128.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.0 109.631 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.484 ' C ' ' O ' ' A' ' 132' ' ' HIS . 4.1 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -179.69 -60.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 109.989 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 45.48 -128.65 8.79 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.066 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.0 mtt 57.6 81.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 111.076 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.57 136.66 1.68 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.544 1.153 . . . . 0.0 109.351 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.515 ' O ' ' C ' ' A' ' 21' ' ' THR . 1.7 pt-20 -171.55 169.45 6.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.634 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER 29.01 -96.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 110.362 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 21' ' ' THR . . . 80.28 -61.7 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -178.98 175.95 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -174.07 79.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.29 179.06 7.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -86.32 172.82 10.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.118 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.77 130.32 39.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.6 141.76 47.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.11 -75.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.235 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 70.54 61.79 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.588 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.4 ' O ' ' CG ' ' A' ' 31' ' ' MET . 1.5 ptt? -179.23 113.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.61 99.8 9.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.234 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 m 60.23 149.73 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.041 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -162.24 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.435 1.755 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.44 122.05 15.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.91 99.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.44 52.5 0.53 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.8 p 43.98 -166.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.431 HG22 ' HA ' ' A' ' 42' ' ' GLU . 7.0 m -127.29 48.54 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 42' ' ' GLU . 1.2 pp -45.05 111.98 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER 40.25 32.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.431 ' HA ' HG22 ' A' ' 39' ' ' THR . 3.3 pm0 37.56 56.75 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.341 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.45 ' OE1' ' N ' ' A' ' 43' ' ' GLN . 20.2 pm0 -40.34 -28.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -179.3 -54.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.986 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 73.53 61.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 108.324 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.529 ' CD2' ' C ' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -139.21 91.34 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.59 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.439 ' C ' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -46.59 -74.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -159.67 -59.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.425 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.728 HG23 ' O ' ' A' ' 49' ' ' THR . 5.5 t 34.25 50.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.738 HD13 ' HD3' ' A' ' 56' ' ' PRO . 0.8 OUTLIER 57.02 164.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.46 -119.98 4.17 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.481 1.113 . . . . 0.0 111.058 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 54.36 22.62 3.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.461 0.742 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.498 ' O ' ' CB ' ' A' ' 54' ' ' SER . 1.2 m-85 42.69 47.69 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 53' ' ' PHE . 0.4 OUTLIER 159.91 -57.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.47 ' HA2' ' CG2' ' A' ' 50' ' ' ILE . . . 106.95 171.56 22.52 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.56 1.163 . . . . 0.0 111.07 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.738 ' HD3' HD13 ' A' ' 50' ' ' ILE . 18.3 Cg_endo -75.06 -69.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 110.941 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.454 ' CG ' ' N ' ' A' ' 58' ' ' THR . 85.4 t80 -50.11 175.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 58' ' ' THR . 22.2 m -103.72 57.97 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CD2' ' O ' ' A' ' 74' ' ' SER . 0.8 OUTLIER -80.78 169.47 17.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.0 m -81.96 153.87 26.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 108.266 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -102.08 170.1 8.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.23 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.9 t -95.56 141.82 28.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -173.11 158.89 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.361 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 pp -96.15 162.58 13.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -110.58 -157.63 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.0 -10.97 59.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.321 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 68' ' ' GLY . 5.6 pt -101.69 38.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.341 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 33.23 45.64 0.3 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.546 1.154 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.42 ' O ' ' CD1' ' A' ' 71' ' ' TRP . 60.8 m -119.19 109.41 15.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.53 122.69 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 108.354 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.538 ' CZ3' HG12 ' A' ' 80' ' ' VAL . 60.8 m95 -103.96 122.9 42.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -75.05 143.28 28.7 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.444 1.76 . . . . 0.0 110.97 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.544 ' NE2' ' H ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -38.06 152.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.584 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 11.4 m -151.28 -170.93 3.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . . . -95.27 156.22 37.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.87 42.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 111.036 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.02 50.81 61.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.859 ' O ' HD22 ' A' ' 79' ' ' LEU . . . -121.36 -164.15 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 0.75 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.859 HD22 ' O ' ' A' ' 78' ' ' ALA . 1.7 mm? -140.31 100.46 3.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.652 HG21 ' HH2' ' A' ' 109' ' ' TRP . 58.2 t -101.24 53.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.455 ' CB ' ' HA ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -98.57 130.74 45.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.356 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 99' ' ' ALA . 4.3 mmt180 -102.83 117.48 60.54 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 149.3 36.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 81.3 m -50.29 160.06 0.76 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 108.305 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.58 ' O ' ' CB ' ' A' ' 86' ' ' GLU . 18.5 Cg_endo -74.99 -11.76 21.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.404 1.739 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.58 ' CB ' ' O ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER 93.11 -165.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.244 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.468 ' CG ' ' O ' ' A' ' 87' ' ' TYR . 13.6 t80 42.56 25.84 0.05 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.461 1.1 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.605 ' CG ' ' N ' ' A' ' 89' ' ' ASN . 1.4 t80 -108.29 -74.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.605 ' N ' ' CG ' ' A' ' 88' ' ' PHE . 2.9 m-80 30.3 60.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.481 ' C ' ' CE1' ' A' ' 88' ' ' PHE . . . 143.13 -67.26 0.45 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.414 ' HB ' ' O ' ' A' ' 90' ' ' GLY . 1.4 tp 173.89 100.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 0.747 . . . . 0.0 109.307 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.27 37.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.445 ' O ' ' O ' ' A' ' 94' ' ' ASN . 8.4 p90 -96.64 162.81 13.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.655 ' ND2' ' N ' ' A' ' 94' ' ' ASN . 0.0 OUTLIER -38.39 -91.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.415 ' N ' HD22 ' A' ' 94' ' ' ASN . 4.5 t -168.9 -42.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.2 m -135.02 81.18 1.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.4 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.586 ' O ' ' O ' ' A' ' 98' ' ' ASN . 0.0 OUTLIER -143.04 -164.82 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 110.325 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.744 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 11.3 p30 53.36 154.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.82 ' HB1' HG21 ' A' ' 113' ' ' VAL . . . 158.55 168.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.367 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.604 ' H ' HG22 ' A' ' 113' ' ' VAL . 46.1 m-85 -148.76 106.12 3.64 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.476 ' HG3' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -135.09 126.79 29.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.241 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.37 157.19 21.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.7 125.99 53.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.585 1.178 . . . . 0.0 108.255 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.1 162.64 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.76 1.44 20.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -98.93 -0.17 42.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.37 40.03 14.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.409 1.068 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.8 p -127.8 163.63 23.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 0.786 . . . . 0.0 110.369 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.652 ' HH2' HG21 ' A' ' 80' ' ' VAL . 35.6 m95 -91.75 -172.44 3.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.35 -174.88 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.357 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.74 -42.65 73.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.958 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 175.56 127.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.82 HG21 ' HB1' ' A' ' 99' ' ' ALA . 2.4 p -40.6 158.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.5 ' C ' ' CD2' ' A' ' 115' ' ' TYR . 0.6 OUTLIER -158.35 172.0 19.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.5 ' CD2' ' C ' ' A' ' 114' ' ' ASN . 2.4 p90 -176.19 112.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.3 -36.86 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -83.66 6.71 19.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.634 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.27 -15.43 13.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 108.316 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.41 ' N ' ' HD3' ' A' ' 120' ' ' PRO . 4.3 pt-20 -137.23 64.08 45.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 119' ' ' GLU . 18.3 Cg_endo -75.01 -162.67 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.552 1.817 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 60.54 151.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.29 59.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -74.47 65.82 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.27 161.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -102.63 109.13 20.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.61 1.194 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -102.76 -103.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.4 102.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.37 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.439 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -152.09 132.36 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 128' ' ' LYS . 2.5 m-85 -170.1 40.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -86.44 151.67 23.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.0 tt -170.89 -41.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -120.77 171.9 8.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.123 . . . . 0.0 109.618 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.0 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.22 169.07 11.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.783 . . . . 0.0 110.019 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.05 169.37 34.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.81 152.78 38.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 0.743 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.12 105.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.33 166.26 29.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.399 1.062 . . . . 0.0 110.375 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 15.3 t -171.14 151.49 3.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.392 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 21' ' ' THR . . . 179.56 178.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -148.96 175.11 11.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.299 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -158.93 135.99 9.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.595 1.184 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -167.9 102.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -170.21 177.11 4.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -143.32 -162.76 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 3.3 ptp180 -122.82 89.15 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -115.93 -35.49 4.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -55.64 -175.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.588 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 ttm 178.72 178.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -143.98 164.97 29.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.5 m -141.75 147.22 44.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.981 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.14 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.8 148.29 24.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -146.88 84.18 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.407 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -166.88 154.64 25.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.092 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 40' ' ' LEU . 67.5 m 61.45 135.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.774 . . . . 0.0 110.442 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 39' ' ' THR . 11.8 t -37.68 95.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.802 HD12 ' N ' ' A' ' 41' ' ' LEU . 3.8 pp -109.54 -61.88 1.57 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.802 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -174.47 52.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' TYR . 0.9 OUTLIER 80.68 39.33 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.407 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 1.6 pt20 -38.17 -31.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' GLU . 0.5 OUTLIER 179.0 153.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.49 -172.09 1.97 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.547 1.155 . . . . 0.0 108.286 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.413 ' O ' ' CB ' ' A' ' 72' ' ' PRO . 3.6 t-160 -52.58 125.99 18.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.607 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.728 ' HD2' HG22 ' A' ' 49' ' ' THR . 0.2 OUTLIER -45.47 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.253 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 48' ' ' THR . 0.6 OUTLIER 87.64 31.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.391 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.733 HG23 ' N ' ' A' ' 50' ' ' ILE . 2.2 t -165.44 -156.18 0.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.165 . . . . 0.0 110.388 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.742 HG23 ' H ' ' A' ' 51' ' ' GLY . 5.1 tt 28.98 -94.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.742 ' H ' HG23 ' A' ' 50' ' ' ILE . . . 81.13 -46.87 3.47 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.405 1.065 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -154.02 -49.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 0.802 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.554 ' O ' ' CB ' ' A' ' 54' ' ' SER . 36.5 m-85 -46.62 -65.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 53' ' ' PHE . 1.1 t 89.34 132.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.057 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.537 ' N ' ' HD3' ' A' ' 56' ' ' PRO . . . 33.33 57.29 0.55 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.537 ' HD3' ' N ' ' A' ' 55' ' ' GLY . 18.2 Cg_endo -75.09 -64.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.64 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -136.08 141.42 44.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.1 m -46.0 114.56 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.64 ' CE1' ' CD1' ' A' ' 57' ' ' TYR . 1.4 m-85 -127.99 158.56 37.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' SER . 80.4 m -64.43 155.21 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 108.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.452 ' O ' ' CD1' ' A' ' 109' ' ' TRP . 20.7 t30 -88.84 155.24 19.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 15.4 t -80.38 147.34 31.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.45 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -179.96 160.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pp -101.34 176.4 5.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -123.16 176.47 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -62.05 -22.85 66.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.348 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.0 pt -97.24 38.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 42.27 26.75 0.38 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.792 HG22 ' NE1' ' A' ' 71' ' ' TRP . 30.9 m -88.58 105.76 17.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 110.422 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.88 151.03 45.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 108.284 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.792 ' NE1' HG22 ' A' ' 69' ' ' THR . 95.0 m95 -147.06 100.27 3.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.025 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -74.94 155.66 43.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.533 1.807 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 72' ' ' PRO . 4.2 mt-30 -34.93 149.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.579 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 1.8 m -156.05 -157.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.94 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.59 148.48 36.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 77' ' ' GLY . 18.1 Cg_endo -75.06 149.96 37.19 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.552 1.817 . . . . 0.0 110.965 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 76' ' ' PRO . . . 34.79 50.78 0.79 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 79' ' ' LEU . . . -113.14 -6.84 13.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 0.785 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.814 ' N ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER 47.57 100.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.849 HG13 ' O ' ' A' ' 80' ' ' VAL . 1.3 p -72.53 58.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -77.96 126.33 30.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.519 ' N ' ' HD3' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -157.94 58.45 1.42 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.519 ' HD3' ' N ' ' A' ' 82' ' ' ARG . 18.4 Cg_endo -74.97 100.88 1.4 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.535 1.808 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER 54.09 103.68 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 108.256 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.424 ' CD ' ' HA ' ' A' ' 94' ' ' ASN . 18.3 Cg_endo -75.08 -70.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.453 1.765 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.548 ' OE2' ' CG ' ' A' ' 93' ' ' TYR . 7.8 tp10 56.33 163.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.416 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 1.1 t80 -68.27 -51.09 48.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.545 ' CE1' ' O ' ' A' ' 89' ' ' ASN . 3.8 p90 -89.27 -24.84 21.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.545 ' O ' ' CE1' ' A' ' 88' ' ' PHE . 0.3 OUTLIER 81.62 114.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.463 ' HA3' ' CE1' ' A' ' 88' ' ' PHE . . . 150.34 -34.88 0.98 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.552 1.158 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.498 ' CG2' ' N ' ' A' ' 92' ' ' LYS . 2.2 mm -92.67 163.85 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.498 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -80.64 84.56 6.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.548 ' CG ' ' OE2' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -127.07 48.66 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 96' ' ' THR . 3.2 p30 -94.63 1.9 55.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 96' ' ' THR . 74.3 p 48.0 -91.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 94' ' ' ASN . 95.1 m -77.5 51.92 0.93 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 110.428 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 56.09 164.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -114.45 -175.44 2.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.791 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . -171.11 -176.03 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.603 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 0.1 OUTLIER 169.69 110.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.383 1.052 . . . . 0.0 111.01 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.681 ' NE ' ' CE3' ' A' ' 109' ' ' TRP . 5.3 ptt180 -145.84 146.56 31.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HG3' HD22 ' A' ' 79' ' ' LEU . 49.7 tt0 -76.91 147.83 36.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.416 ' N ' ' HG2' ' A' ' 102' ' ' GLU . 0.5 OUTLIER -111.9 164.89 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 108.35 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.1 mt -91.01 151.18 21.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.6 -2.52 23.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.0 -0.53 44.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.63 48.32 4.52 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.404 ' O ' ' SG ' ' A' ' 103' ' ' CYS . 1.0 OUTLIER -138.88 147.76 42.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.415 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.681 ' CE3' ' NE ' ' A' ' 101' ' ' ARG . 96.4 m95 -76.97 -171.58 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 107.983 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.02 -135.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.1 p -99.55 -49.96 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.025 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.73 141.69 19.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.791 HG22 ' HB1' ' A' ' 99' ' ' ALA . 9.3 p -110.11 130.1 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.615 ' O ' ' CD1' ' A' ' 115' ' ' TYR . 4.1 t-20 160.13 135.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 114' ' ' ASN . 47.0 m-85 -156.81 112.85 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 83.6 p -76.39 2.3 13.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.437 ' O ' HD21 ' A' ' 122' ' ' LEU . 14.8 m-70 -74.9 1.52 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.607 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.42 ' HB2' ' CB ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -89.06 -39.34 13.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.476 ' CB ' ' HD3' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -43.21 -55.99 7.19 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.476 ' HD3' ' CB ' ' A' ' 119' ' ' GLU . 18.4 Cg_endo -74.98 149.93 37.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.1 tt -71.79 122.25 23.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.568 ' O ' HD12 ' A' ' 122' ' ' LEU . 2.2 pp -174.35 46.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.95 99.23 4.37 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -178.81 91.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.267 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? 42.65 62.62 1.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.27 119.3 38.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.583 1.177 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.11 144.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -124.23 117.97 25.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' A' ' 129' ' ' TYR . 45.7 p90 -58.11 133.12 55.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -161.28 166.37 27.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.3 tp -162.18 157.63 23.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.34 148.62 21.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.591 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 63.7 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.5 m 61.64 124.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.37 -176.28 17.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.0 ttm -149.52 124.93 10.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.67 -75.56 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -172.92 162.26 4.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 2.2 m -161.45 115.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 21' ' ' THR . . . 173.48 129.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -178.67 157.75 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.768 ' HB1' ' CZ ' ' A' ' 26' ' ' PHE . . . -104.79 156.16 18.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.01 80.86 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.768 ' CZ ' ' HB1' ' A' ' 24' ' ' ALA . 9.9 p90 -178.47 47.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 174.51 111.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.85 44.03 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.641 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -110.94 -77.94 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.641 ' CD2' ' O ' ' A' ' 29' ' ' GLN . 1.2 p-80 37.2 32.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.077 . . . . 0.0 109.636 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' GLN . 2.5 ptt? -140.01 132.56 28.7 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.26 118.26 11.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.0 m -150.9 152.42 31.72 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.586 1.179 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -101.75 139.28 37.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.65 -65.92 0.82 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.85 32.89 3.42 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.118 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.8 m -86.37 -1.06 57.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.419 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 39' ' ' THR . 9.4 t -175.44 55.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.437 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' THR . 0.2 OUTLIER -38.33 97.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.518 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.8 pp -93.39 28.15 2.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER 82.12 56.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 110.254 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' GLU . 2.8 mt-30 -36.13 152.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.357 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -68.53 95.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 76.1 m -48.99 -78.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.244 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.413 ' CD2' ' N ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -152.78 -54.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.564 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.597 ' C ' HG23 ' A' ' 48' ' ' THR . 6.1 tpt180 -81.53 -70.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.597 HG23 ' C ' ' A' ' 47' ' ' ARG . 1.9 p 64.69 -59.63 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.443 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.566 ' N ' ' O ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER 59.69 149.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.721 HG23 ' N ' ' A' ' 51' ' ' GLY . 0.2 OUTLIER 45.62 -169.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.721 ' N ' HG23 ' A' ' 50' ' ' ILE . . . -138.61 79.23 0.3 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.155 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.3 t30 178.61 -68.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.242 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -179.15 -62.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.7 p -112.24 147.94 35.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.98 -136.97 3.62 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.667 ' O ' ' CG ' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -75.02 -157.89 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.526 1.803 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.692 ' CG ' ' CE2' ' A' ' 59' ' ' TYR . 11.8 p90 43.63 -175.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.947 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.9 m -146.82 15.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.35 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.692 ' CE2' ' CG ' ' A' ' 57' ' ' TYR . 2.4 p90 -82.18 179.28 7.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 2.7 m -69.25 125.65 27.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.265 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -107.18 163.02 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.242 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 0.8 OUTLIER -56.25 123.63 15.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.6 m -152.38 160.44 43.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.88 126.4 48.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 67' ' ' ILE . 3.8 t70 -91.91 -170.63 2.61 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -39.48 -29.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.89 HD12 HG21 ' A' ' 69' ' ' THR . 20.8 pt -93.91 106.6 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -30.62 -42.18 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.89 HG21 HD12 ' A' ' 67' ' ' ILE . 9.7 t -36.2 96.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 0.794 . . . . 0.0 110.4 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 68' ' ' GLY . 8.9 t -52.5 168.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.272 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.921 ' CH2' HG21 ' A' ' 113' ' ' VAL . 21.1 m95 -134.91 128.19 18.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.01 139.22 24.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.55 1.816 . . . . 0.0 111.053 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.551 ' HG2' ' N ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -35.32 142.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.551 ' N ' ' HG2' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -138.97 177.24 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.8 160.92 25.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.41 ' HB3' ' N ' ' A' ' 107' ' ' GLY . 18.5 Cg_endo -74.92 147.02 33.73 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.445 1.761 . . . . 0.0 110.998 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.48 10.76 84.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.34 -165.7 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.472 HD12 ' HG2' ' A' ' 81' ' ' GLU . 3.8 pp -174.29 123.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.754 ' O ' HG12 ' A' ' 80' ' ' VAL . 25.1 t -99.55 62.1 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 109.219 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.472 ' HG2' HD12 ' A' ' 79' ' ' LEU . 18.8 pt-20 -78.49 129.43 34.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.45 ' N ' ' HD3' ' A' ' 83' ' ' PRO . 11.8 ptt180 -165.73 61.85 0.76 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 82' ' ' ARG . 18.4 Cg_endo -74.94 127.3 10.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.811 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.473 ' N ' ' SG ' ' A' ' 118' ' ' CYS . 59.1 m 62.97 138.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 108.314 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -22.43 14.92 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.414 ' OE2' ' HA ' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -70.5 177.82 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.383 1.052 . . . . 0.0 110.26 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -150.75 38.08 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.031 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.618 ' CG ' ' N ' ' A' ' 89' ' ' ASN . 16.0 p90 -121.29 -47.28 2.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.618 ' N ' ' CG ' ' A' ' 88' ' ' PHE . 1.1 t-20 83.44 122.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.499 ' CA ' HD12 ' A' ' 121' ' ' ILE . . . 160.5 -87.59 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.702 HG23 ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -175.07 92.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.436 0.727 . . . . 0.0 109.33 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.4 tptt 179.38 49.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.585 ' HD1' HG23 ' A' ' 95' ' ' THR . 40.9 p90 -102.63 130.37 49.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 111.003 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.556 ' ND2' ' H ' ' A' ' 94' ' ' ASN . 0.2 OUTLIER -103.96 -4.54 23.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.585 HG23 ' HD1' ' A' ' 93' ' ' TYR . 80.4 p 46.25 87.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.403 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.603 HG22 ' HD2' ' A' ' 97' ' ' ARG . 97.0 m -104.73 -52.65 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.406 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.603 ' HD2' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -163.74 78.33 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.572 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 2.7 p-10 -128.1 170.61 12.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.605 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . 171.19 -167.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.43 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 0.6 OUTLIER -176.21 126.88 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.555 ' HG3' HG23 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -148.96 141.63 24.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -103.5 144.83 30.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.47 106.95 17.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.328 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.7 mt -53.33 165.73 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -77.04 1.21 18.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -99.94 -2.17 35.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.41 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 79.58 50.41 5.69 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.431 1.082 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 82.7 p -140.89 138.95 34.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 0.712 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' ' 101' ' ' ARG . 71.4 m95 -65.94 -171.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 107.961 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.44 -150.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.89 -43.83 5.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.486 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 3.7 ttm180 -141.78 143.71 33.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.921 HG21 ' CH2' ' A' ' 71' ' ' TRP . 4.0 p -114.8 179.26 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.677 ' H ' HG22 ' A' ' 113' ' ' VAL . 2.6 t30 82.98 -58.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.486 ' CE1' ' O ' ' A' ' 112' ' ' ARG . 30.1 m-85 55.87 115.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.96 1.37 20.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.943 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.547 ' O ' ' CD2' ' A' ' 117' ' ' HIS . 0.1 OUTLIER -104.41 32.02 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 84' ' ' CYS . 48.9 t -38.78 -50.08 1.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 108.267 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -171.11 91.14 0.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.33 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 54.7 3.72 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.538 1.809 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.499 HD12 ' CA ' ' A' ' 90' ' ' GLY . 2.5 mt -56.0 134.29 19.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.2 pp -84.67 107.79 17.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -123.44 169.98 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 20.4 t70 60.18 97.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 174.58 7.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -62.46 -103.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.229 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 68.32 -171.41 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -83.56 86.78 7.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 54.16 176.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.054 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -179.45 145.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.3 tt -154.16 131.12 10.93 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -96.54 172.46 7.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.607 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 93.4 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.993 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.0 p -178.61 154.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 0.783 . . . . 0.0 109.97 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.02 179.28 37.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -148.23 171.53 15.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -126.51 -72.61 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.367 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 57.59 100.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 1.058 . . . . 0.0 110.26 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -141.85 136.82 30.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.68 174.61 8.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.341 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.99 179.52 4.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 25' ' ' LYS . . . -161.59 -107.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER 41.48 -161.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.07 . . . . 0.0 109.338 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 6.2 m-85 -175.69 -176.91 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -139.72 154.63 47.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 110.277 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -115.11 148.36 39.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -120.9 -54.09 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.462 ' CD2' ' H ' ' A' ' 31' ' ' MET . 1.9 t-160 64.63 -162.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.635 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.462 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -160.87 175.51 12.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.957 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.3 159.59 3.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 m -134.37 152.15 77.53 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.426 1.75 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -126.36 136.31 52.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 mp -90.83 -69.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.26 -141.94 45.26 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 m 60.05 82.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 110.392 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 m 62.74 109.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.434 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.92 146.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.175 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mt -129.22 8.49 5.56 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.611 1.195 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.89 15.07 18.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 52.31 177.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -91.08 72.22 6.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -51.04 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 108.307 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 47' ' ' ARG . 22.2 p-80 -61.5 -156.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.606 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.481 ' O ' ' HB ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -117.38 -95.44 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.481 ' HB ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 169.29 121.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.416 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.732 HG23 ' O ' ' A' ' 49' ' ' THR . 0.9 OUTLIER -172.18 33.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.094 . . . . 0.0 110.371 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.1 tt -159.74 150.83 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 132.73 -61.63 0.65 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -113.27 -13.85 12.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 0.81 . . . . 0.0 109.337 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -166.91 158.59 12.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.98 123.7 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.64 1.212 . . . . 0.0 109.969 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.436 ' N ' ' HD3' ' A' ' 56' ' ' PRO . . . -134.11 62.35 0.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.438 ' O ' ' HB2' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -74.96 -179.54 5.07 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.461 1.769 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER 178.18 -143.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 58' ' ' THR . 22.6 m 54.16 19.38 2.11 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.928 ' CZ ' ' HB2' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -119.29 164.75 15.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 74' ' ' SER . 11.2 m -69.13 136.02 51.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.285 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -86.05 152.4 22.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 t -73.05 130.07 39.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 t -167.1 156.76 10.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.435 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.676 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -119.46 159.5 24.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.248 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -134.14 -153.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.26 -26.11 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.347 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.819 HG21 ' ND2' ' A' ' 114' ' ' ASN . 12.6 pt -101.05 101.24 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.444 1.09 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -34.71 -36.37 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.632 HG23 ' O ' ' A' ' 69' ' ' THR . 12.6 t -41.55 98.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.76 . . . . 0.0 110.435 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.6 t -66.12 137.6 57.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 108.316 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.539 ' CE3' HG11 ' A' ' 80' ' ' VAL . 77.7 m95 -109.14 117.7 52.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.014 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.1 Cg_endo -75.03 143.93 29.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -37.07 153.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 110.32 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.584 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -156.07 -170.44 3.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.036 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.928 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . . . -94.51 166.71 14.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.244 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.569 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -74.99 151.16 39.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.544 1.813 . . . . 0.0 111.051 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 46.97 47.1 19.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 79' ' ' LEU . . . -101.2 -9.69 21.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 0.723 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER 39.0 90.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.766 ' O ' HG12 ' A' ' 80' ' ' VAL . 25.6 t -77.02 61.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -78.1 119.97 22.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 ttm-85 -124.02 73.89 56.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.49 ' C ' ' SG ' ' A' ' 84' ' ' CYS . 18.3 Cg_endo -75.03 103.76 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.49 ' SG ' ' C ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER 53.53 171.62 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 108.325 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -70.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.543 1.812 . . . . 0.0 111.065 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -107.77 -173.23 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.604 1.19 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.28 83.81 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 111.056 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 89' ' ' ASN . 25.3 p90 -121.36 -47.75 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.546 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 0.3 OUTLIER 72.49 84.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.277 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.791 ' O ' HG23 ' A' ' 91' ' ' ILE . . . 164.95 -91.99 0.11 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.439 1.087 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.791 HG23 ' O ' ' A' ' 90' ' ' GLY . 1.3 pp -161.99 34.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.79 54.64 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -105.81 149.25 26.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.597 HD22 ' N ' ' A' ' 94' ' ' ASN . 1.1 m-80 -115.18 -69.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.61 ' O ' HG22 ' A' ' 96' ' ' THR . 31.5 p -151.0 -165.9 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 95' ' ' THR . 0.6 OUTLIER 87.03 -34.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 1.104 . . . . 0.0 110.455 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.32 163.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -106.15 154.6 20.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -176.49 -170.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.651 ' O ' HG13 ' A' ' 113' ' ' VAL . 53.7 t80 -161.45 100.24 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.978 ' CG ' HG11 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -104.53 93.58 4.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.224 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.529 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 2.8 pt-20 -81.03 122.37 27.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.298 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.598 ' SG ' ' CE3' ' A' ' 109' ' ' TRP . 0.1 OUTLIER -103.88 139.31 39.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 108.32 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.2 158.63 26.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.81 -2.49 20.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.62 1.27 56.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 77.58 46.78 9.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.445 1.09 . . . . 0.0 111.088 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.7 p -131.23 173.1 11.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 110.487 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.598 ' CE3' ' SG ' ' A' ' 103' ' ' CYS . 6.9 m95 -105.3 179.53 4.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.529 ' HB2' ' HG3' ' A' ' 102' ' ' GLU . . . -96.73 -153.14 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.54 -74.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.552 ' O ' ' CZ ' ' A' ' 115' ' ' TYR . 0.7 OUTLIER -105.42 121.57 44.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 110.245 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.978 HG11 ' CG ' ' A' ' 101' ' ' ARG . 41.9 t -124.92 117.06 49.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.25 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.819 ' ND2' HG21 ' A' ' 67' ' ' ILE . 11.7 t-20 174.53 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.605 ' N ' ' CD1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -59.78 76.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 114' ' ' ASN . 2.3 p -77.62 -34.12 53.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.521 ' CE1' ' HB2' ' A' ' 115' ' ' TYR . 34.8 m-70 70.65 31.59 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.612 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER -106.4 -29.2 9.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.365 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.619 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 7.3 tt0 -68.96 -43.96 27.71 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.5 Cg_endo -75.01 58.16 4.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.538 1.809 . . . . 0.0 111.066 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.37 159.03 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.07 77.44 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 45.6 p-10 -142.11 89.68 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.96 97.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.04 128.42 47.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -100.58 164.63 11.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.88 158.97 37.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.37 177.67 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -164.21 172.91 13.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -112.51 165.98 11.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.35 143.74 4.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 31.9 p-80 -128.45 171.83 11.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.534 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 44.1 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.2 p -142.26 169.35 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.043 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.86 147.87 43.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.433 1.083 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.22 133.49 50.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 0.76 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -124.51 114.94 20.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -144.0 146.22 32.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.26 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -168.21 136.09 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.439 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -154.4 176.6 12.13 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 64.38 131.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.7 88.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.78 99.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -160.32 171.73 18.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.58 -102.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.322 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -128.59 59.47 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.358 1.036 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -62.23 -66.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.527 ' O ' ' C ' ' A' ' 31' ' ' MET . 14.4 t-160 -163.52 90.71 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.597 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.527 ' C ' ' O ' ' A' ' 30' ' ' HIS . 2.7 ptt? 25.51 90.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -84.7 144.74 28.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.604 1.19 . . . . 0.0 109.364 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.54 161.07 0.12 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -162.25 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.58 132.78 36.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.224 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.16 -81.0 0.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.377 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.53 142.58 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.5 t -88.96 23.32 2.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 0.737 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.686 ' OG1' HD23 ' A' ' 40' ' ' LEU . 9.0 t -145.24 -140.19 0.11 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.686 HD23 ' OG1' ' A' ' 39' ' ' THR . 0.1 OUTLIER -91.74 -68.59 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 pp -158.76 51.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 63.1 17.97 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 45' ' ' CYS . 0.3 OUTLIER 49.39 -178.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -63.88 76.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 46' ' ' HIS . 1.6 m -53.19 -58.39 7.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 108.302 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 45' ' ' CYS . 5.0 t60 -36.86 144.36 0.07 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.492 1.12 . . . . 0.0 109.61 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.804 ' HG3' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -63.26 -86.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.347 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.804 HG22 ' HG3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 165.42 -40.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.65 HG22 ' C ' ' A' ' 48' ' ' THR . 0.1 OUTLIER 165.97 171.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 110.397 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.592 HG21 ' HG2' ' A' ' 56' ' ' PRO . 1.7 mp -76.38 -53.63 14.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.19 -36.06 0.12 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.555 1.159 . . . . 0.0 110.944 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 54' ' ' SER . 4.7 t30 -94.63 52.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 0.736 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 65.93 -69.07 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 111.056 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 52' ' ' ASN . 3.8 t -160.28 57.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.84 -89.19 0.36 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.592 ' HG2' HG21 ' A' ' 50' ' ' ILE . 18.2 Cg_endo -75.0 178.82 6.76 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.547 ' O ' ' CB ' ' A' ' 58' ' ' THR . 5.5 t80 179.5 -174.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.547 ' CB ' ' O ' ' A' ' 57' ' ' TYR . 4.0 m 85.47 32.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -120.83 147.07 45.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 7.7 m -44.42 128.64 6.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 108.273 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -108.66 166.32 10.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 71' ' ' TRP . 98.2 m -64.86 122.13 16.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 t -147.98 158.64 44.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.399 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 pp -91.94 140.43 29.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -93.74 -171.43 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -71.37 -12.82 61.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.9 pt -103.93 38.73 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 36.92 45.39 1.08 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.508 HG23 ' CD1' ' A' ' 71' ' ' TRP . 3.7 t -120.62 117.71 28.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 0.727 . . . . 0.0 110.439 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.9 t -99.87 110.15 22.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 108.274 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.843 ' O ' HG23 ' A' ' 62' ' ' THR . 23.7 m0 -95.46 157.4 36.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 108.002 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.0 146.91 33.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.446 ' N ' ' OG1' ' A' ' 62' ' ' THR . 4.1 pp0? -44.05 169.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.42 170.53 22.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.936 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.33 159.15 45.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 146.25 32.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.428 1.752 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.84 4.86 59.77 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.28 -150.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.73 . . . . 0.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.65 94.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.554 ' O ' HG12 ' A' ' 80' ' ' VAL . 89.1 t -93.61 61.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.526 ' HA ' ' CB ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -96.07 150.06 20.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 110.262 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.406 ' N ' ' HD3' ' A' ' 83' ' ' PRO . 1.9 ptp180 -157.44 64.15 3.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 84' ' ' CYS . 18.1 Cg_endo -75.03 132.29 15.21 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.777 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.428 ' O ' ' O ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER 62.33 134.44 0.04 OUTLIER Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.454 1.096 . . . . 0.0 108.336 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.585 ' HB2' ' CD1' ' A' ' 93' ' ' TYR . 18.3 Cg_endo -74.98 -158.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' A' ' 87' ' ' TYR . 0.6 OUTLIER -120.34 -144.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.14 . . . . 0.0 110.254 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.534 ' HB3' ' O ' ' A' ' 86' ' ' GLU . 0.7 OUTLIER 60.27 -80.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 92' ' ' LYS . 40.9 p90 -102.02 -32.8 9.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 88' ' ' PHE . 11.5 t-20 85.27 119.04 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.236 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.09 -90.48 0.13 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.647 HG21 ' H ' ' A' ' 121' ' ' ILE . 1.0 OUTLIER 179.54 96.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER 176.02 43.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.585 ' CD1' ' HB2' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -93.05 -156.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.721 ' C ' HG22 ' A' ' 95' ' ' THR . 0.0 OUTLIER -33.68 -60.12 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.721 HG22 ' C ' ' A' ' 94' ' ' ASN . 0.1 OUTLIER 165.54 -32.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.373 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.3 p -46.95 -39.96 13.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.533 ' CG ' HD11 ' A' ' 91' ' ' ILE . 5.2 mtt180 63.34 172.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.346 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.639 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 1.0 OUTLIER -40.06 144.79 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 98' ' ' ASN . . . 167.62 118.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.526 ' CB ' ' HA ' ' A' ' 81' ' ' GLU . 15.7 p90 -134.78 144.53 47.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.061 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.494 ' HG3' ' CB ' ' A' ' 113' ' ' VAL . 2.0 mtt180 -133.74 127.09 32.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.721 ' HG2' ' HB2' ' A' ' 110' ' ' ALA . 0.7 OUTLIER -88.22 141.22 28.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.252 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.439 ' SG ' ' CZ3' ' A' ' 109' ' ' TRP . 1.6 m -104.77 111.96 24.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 108.269 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -63.94 163.53 11.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -77.42 1.33 19.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.7 -3.3 49.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.17 43.17 8.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.1 p -132.03 163.91 27.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 0.73 . . . . 0.0 110.405 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.468 ' CE3' ' HB3' ' A' ' 101' ' ' ARG . 14.6 m95 -87.93 -173.13 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.721 ' HB2' ' HG2' ' A' ' 102' ' ' GLU . . . -91.38 -162.2 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.4 p -70.07 -51.98 27.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.074 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.446 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -179.04 121.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.822 HG21 ' CH2' ' A' ' 71' ' ' TRP . 0.3 OUTLIER -48.85 178.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.664 ' O ' ' CD1' ' A' ' 115' ' ' TYR . 5.7 t-20 89.54 -144.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.695 ' CG ' ' O ' ' A' ' 115' ' ' TYR . 25.6 p90 35.15 91.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.57 1.169 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 117' ' ' HIS . 65.5 p -122.25 -69.98 0.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 109.983 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.425 ' N ' ' OG ' ' A' ' 116' ' ' SER . 21.3 m-70 79.59 11.57 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.662 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -53.57 56.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -148.92 95.86 3.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.535 ' HD2' HD12 ' A' ' 122' ' ' LEU . 18.3 Cg_endo -75.05 93.3 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.466 1.771 . . . . 0.0 111.03 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.777 ' O ' HG23 ' A' ' 121' ' ' ILE . 4.1 tp 34.3 50.73 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.535 HD12 ' HD2' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -67.74 142.92 56.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.254 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 122' ' ' LEU . 1.0 OUTLIER 156.76 111.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.93 101.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 126' ' ' GLN . 0.0 OUTLIER -155.33 -160.76 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 125' ' ' LYS . 0.4 OUTLIER 34.28 88.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 122.01 23.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.04 -169.75 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 130' ' ' ASP . 39.3 t80 59.26 151.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.959 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 129' ' ' TYR . 1.3 p30 162.13 167.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.361 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.3 143.46 32.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -177.37 155.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.612 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 13.4 t80 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.956 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 p -168.5 117.4 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 0.722 . . . . 0.0 109.949 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 19' ' ' LYS . . . 135.25 -40.2 1.58 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 44.1 mmm 53.17 -90.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 17' ' ' GLY . 14.1 mttp -112.59 -61.32 1.74 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 176.23 170.5 0.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 110.232 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.0 t -105.74 164.75 11.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.4 121.81 21.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -176.95 127.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.45 153.84 41.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.25 138.84 49.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -105.63 175.72 5.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 63.04 164.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.46 131.63 56.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -87.86 -76.22 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 t60 75.71 143.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.575 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.3 mtt -77.83 74.35 4.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 61.32 147.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.6 151.59 39.7 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.443 1.759 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 40.2 -158.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 174.9 73.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.528 ' O ' HG22 ' A' ' 39' ' ' THR . . . 141.9 -56.89 0.58 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.447 1.092 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.4 p 39.83 59.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 0.743 . . . . 0.0 110.347 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 37' ' ' GLY . 3.5 t -173.9 46.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.517 HD23 HG23 ' A' ' 39' ' ' THR . 0.4 OUTLIER -179.51 171.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 pp -131.61 9.37 4.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -120.79 13.06 11.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.231 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.448 ' O ' HD13 ' A' ' 40' ' ' LEU . 7.7 tp60 48.52 -91.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.4 1.063 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -174.2 -60.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.4 m 43.97 73.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 108.302 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -104.11 117.25 33.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.586 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.405 ' O ' HG22 ' A' ' 48' ' ' THR . 5.8 ptm180 -117.19 -5.27 11.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 110.247 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER 67.37 125.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.435 HG21 ' OE1' ' A' ' 73' ' ' GLN . 8.9 t -153.55 143.4 21.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.871 HD13 ' HD2' ' A' ' 56' ' ' PRO . 5.3 mt 53.13 100.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.27 80.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.567 1.167 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' ILE . 14.4 t-20 -169.55 32.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 0.718 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 52' ' ' ASN . 0.1 OUTLIER 37.2 48.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.13 178.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.964 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.69 87.53 0.27 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.409 1.068 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.871 ' HD2' HD13 ' A' ' 50' ' ' ILE . 18.5 Cg_endo -75.0 -161.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.553 1.817 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.506 ' CG ' ' N ' ' A' ' 58' ' ' THR . 45.2 t80 54.2 168.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.506 ' N ' ' CG ' ' A' ' 57' ' ' TYR . 18.3 m -80.7 62.74 4.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.798 ' CE1' ' HB2' ' A' ' 75' ' ' ALA . 3.4 t80 -97.49 166.67 11.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.438 ' HB2' ' N ' ' A' ' 74' ' ' SER . 41.8 m -77.29 161.36 28.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.317 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -117.77 167.73 11.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 8.9 t -93.63 134.81 35.54 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.67 169.2 24.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.449 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.805 HD12 ' N ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -151.55 159.24 44.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.805 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -173.67 -164.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -37.7 -48.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.694 HD13 ' H ' ' A' ' 67' ' ' ILE . 0.1 OUTLIER -132.49 35.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.624 ' O ' ' CD1' ' A' ' 71' ' ' TRP . . . -78.47 -17.2 78.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.645 ' CG2' ' CZ2' ' A' ' 71' ' ' TRP . 4.2 t 39.23 28.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' GLY . 5.9 t 45.63 83.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.645 ' CZ2' ' CG2' ' A' ' 69' ' ' THR . 87.0 m95 -79.03 114.72 46.77 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 107.963 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.462 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.9 64.76 5.98 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER 40.5 -165.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.552 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 168.09 179.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.798 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . . . -99.07 162.06 22.71 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.438 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.6 Cg_endo -74.9 145.57 32.01 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 111.035 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 67.16 18.28 68.97 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.614 ' O ' HD12 ' A' ' 79' ' ' LEU . . . -86.62 -155.94 0.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -164.0 113.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.76 ' O ' HG12 ' A' ' 80' ' ' VAL . 25.3 t -110.9 61.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -100.77 143.13 31.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.502 ' N ' ' HD3' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -163.44 59.6 0.83 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.358 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 82' ' ' ARG . 18.4 Cg_endo -75.01 128.19 11.27 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.477 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 2.0 m 48.45 98.92 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 108.288 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.428 ' HA ' ' HB2' ' A' ' 93' ' ' TYR . 18.5 Cg_endo -74.96 77.16 3.18 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 170.09 -160.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 0.7 OUTLIER 63.59 -135.61 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.734 ' CG ' ' N ' ' A' ' 89' ' ' ASN . 18.7 p90 -70.58 -55.44 8.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.734 ' N ' ' CG ' ' A' ' 88' ' ' PHE . 5.2 m-80 22.3 -90.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 88' ' ' PHE . . . 82.05 -9.62 56.38 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 111.06 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.73 HG23 ' N ' ' A' ' 92' ' ' LYS . 1.1 tp -96.88 -138.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.73 ' N ' HG23 ' A' ' 91' ' ' ILE . 77.2 tttt -85.32 58.88 5.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.364 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.663 ' CD2' ' O ' ' A' ' 93' ' ' TYR . 35.7 p90 -103.95 53.11 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.73 -92.37 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.504 ' C ' HG23 ' A' ' 96' ' ' THR . 2.3 p -125.63 92.64 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.379 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.504 HG23 ' C ' ' A' ' 95' ' ' THR . 35.0 p -156.8 24.52 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 65.77 174.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.302 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.482 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 0.2 OUTLIER -112.03 114.96 28.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.362 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.977 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . 176.55 -164.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.648 ' CD2' ' NE2' ' A' ' 117' ' ' HIS . 0.0 OUTLIER -154.96 124.31 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 111.028 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.449 ' CG ' HG23 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -149.63 122.09 8.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.94 162.14 14.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -113.33 113.84 25.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.3 mt -54.0 173.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -77.8 1.13 21.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -97.31 -1.85 43.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.33 23.11 61.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.596 1.185 . . . . 0.0 111.069 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.3 p -110.96 172.02 7.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 110.371 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.515 ' CZ2' ' HB3' ' A' ' 71' ' ' TRP . 56.2 m95 -92.19 -172.04 3.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.8 -170.44 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -60.05 3.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.468 ' HG2' HD11 ' A' ' 67' ' ' ILE . 2.3 ttt180 -178.78 128.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.977 HG22 ' HB1' ' A' ' 99' ' ' ALA . 0.8 OUTLIER -40.59 159.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.51 ' ND2' ' H ' ' A' ' 115' ' ' TYR . 6.0 t-20 -169.64 152.82 4.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.565 ' N ' ' CD1' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -111.21 82.88 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 111.001 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -119.29 1.43 11.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.648 ' NE2' ' CD2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -146.45 55.06 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 0.0 109.56 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 120' ' ' PRO . 0.7 OUTLIER -56.35 -61.19 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.307 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.08 78.42 9.84 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 121' ' ' ILE . 18.4 Cg_endo -74.97 -160.5 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.586 ' H ' HD12 ' A' ' 121' ' ' ILE . 3.1 mp -37.32 154.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.15 -170.05 2.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 6.6 t0 -116.76 153.07 33.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 123' ' ' ASP . 3.2 m-20 52.35 97.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 160.6 28.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.49 175.21 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -79.64 76.46 6.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.242 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.37 166.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 109.354 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -123.56 164.85 18.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -135.97 150.75 49.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.4 tp -175.74 100.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -152.72 170.59 19.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.601 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m 62.46 138.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.73 -123.71 1.49 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.586 1.179 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.0 mtm 60.78 140.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 111.006 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -145.77 158.28 43.87 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -177.23 169.78 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -132.72 155.69 48.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.47 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.61 165.69 15.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.632 1.208 . . . . 0.0 109.25 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.29 175.76 8.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -129.37 -113.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.81 150.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.223 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -120.25 175.83 5.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -140.21 88.94 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.344 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.71 170.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.24 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -72.81 -50.18 25.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.9 t60 65.31 172.56 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.567 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.4 ttt -110.38 178.78 4.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.435 1.084 . . . . 0.0 111.077 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -105.85 167.28 9.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.46 148.38 34.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.478 ' O ' ' O ' ' A' ' 35' ' ' ASP . 18.4 Cg_endo -74.95 174.8 12.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' O ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER 42.49 95.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.85 -42.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.723 ' O ' HG22 ' A' ' 38' ' ' THR . . . -56.62 -73.59 0.42 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.723 HG22 ' O ' ' A' ' 37' ' ' GLY . 14.3 t 49.62 23.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 110.373 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.566 HG22 ' H ' ' A' ' 40' ' ' LEU . 4.5 m -127.57 -144.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.566 ' H ' HG22 ' A' ' 39' ' ' THR . 1.5 mt -71.26 -44.61 64.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 73.0 7.99 5.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.341 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -120.88 23.61 10.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -39.09 104.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 51.91 81.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.55 72.8 4.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 108.364 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.434 ' HA ' ' CG2' ' A' ' 62' ' ' THR . 13.9 t-160 -172.8 115.34 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.596 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.481 ' O ' HG22 ' A' ' 48' ' ' THR . 8.7 ptm180 -103.48 -38.97 6.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.665 ' O ' HG22 ' A' ' 49' ' ' THR . 0.5 OUTLIER 69.77 152.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.432 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 48' ' ' THR . 0.6 OUTLIER 83.91 -179.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.446 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.719 HG21 ' OH ' ' A' ' 57' ' ' TYR . 19.7 mt -151.78 -67.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.1 54.41 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -166.74 -63.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.754 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 54' ' ' SER . 9.2 p90 -172.71 -41.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 1.181 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.486 ' N ' ' CD1' ' A' ' 53' ' ' PHE . 30.3 p -162.49 141.47 9.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.01 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -36.7 98.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.403 ' HD2' HD12 ' A' ' 50' ' ' ILE . 18.2 Cg_endo -75.05 -69.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.556 1.819 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.719 ' OH ' HG21 ' A' ' 50' ' ' ILE . 5.8 p90 -79.48 161.62 25.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 111.065 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 58' ' ' THR . 4.4 t -69.01 98.38 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.399 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.715 ' CE1' ' HB2' ' A' ' 75' ' ' ALA . 20.1 t80 -114.89 159.3 20.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.46 ' HB2' ' CA ' ' A' ' 74' ' ' SER . 10.0 m -75.1 133.21 41.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 108.342 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -93.16 168.08 11.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.434 ' CG2' ' HA ' ' A' ' 46' ' ' HIS . 5.9 t -90.06 130.46 36.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.427 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.41 172.84 2.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.391 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.588 ' O ' HD12 ' A' ' 64' ' ' LEU . 4.4 pp -130.23 125.3 34.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -169.68 36.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.413 ' OE1' ' NE1' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -123.34 -65.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.267 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.537 HG21 ' CZ ' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -143.75 38.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.1 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.26 -3.76 65.48 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 m -88.57 148.51 24.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.445 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -114.76 120.75 41.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.497 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . 0.4 OUTLIER -90.96 129.45 44.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.5 Cg_endo -74.96 83.27 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 62' ' ' THR . 3.8 mt-30 47.64 -176.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.615 ' OG ' ' CH2' ' A' ' 109' ' ' TRP . 0.0 OUTLIER 176.48 179.01 0.21 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.087 . . . . 0.0 110.004 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.715 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . . . -112.68 166.8 10.28 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.564 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -74.99 145.04 30.99 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.551 1.817 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 103' ' ' CYS . . . 56.43 16.14 14.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.662 ' O ' HD22 ' A' ' 79' ' ' LEU . . . -71.79 -147.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.769 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.787 HD12 ' CG ' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -158.87 86.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.709 HG21 ' HH2' ' A' ' 109' ' ' TRP . 79.1 t -89.77 65.57 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.787 ' CG ' HD12 ' A' ' 79' ' ' LEU . 23.4 mt-10 -74.34 139.91 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.705 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 12.7 ttm-85 -156.06 135.03 7.71 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 137.75 22.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.651 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 1.7 m -45.59 113.23 1.89 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 108.281 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.588 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 18.3 Cg_endo -75.03 150.69 38.39 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.527 1.804 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.58 89.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' PRO . 2.4 t80 178.56 -35.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.734 ' CE1' HG22 ' A' ' 91' ' ' ILE . 2.3 p90 -35.7 -45.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 119' ' ' GLU . 67.7 m-20 -140.45 -62.07 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.23 58.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.577 1.173 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.734 HG22 ' CE1' ' A' ' 88' ' ' PHE . 1.2 tp -137.18 -176.11 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.531 ' N ' HG23 ' A' ' 91' ' ' ILE . 10.6 pttt -78.63 110.26 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.574 ' O ' ' CG ' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -77.32 58.29 1.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.972 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -119.33 -43.41 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.478 ' C ' HG22 ' A' ' 96' ' ' THR . 1.1 t -121.36 162.51 20.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.439 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.478 HG22 ' C ' ' A' ' 95' ' ' THR . 1.2 t 43.25 85.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.411 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.18 135.68 10.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.435 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 0.3 OUTLIER -141.83 118.24 10.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 82' ' ' ARG . . . -151.6 52.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.792 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -100.03 161.71 13.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.68 ' CZ ' ' HB2' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -160.35 142.47 12.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.411 ' C ' HH12 ' A' ' 101' ' ' ARG . 2.6 pt-20 -103.85 129.46 51.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.349 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -68.35 130.29 42.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 108.375 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.79 160.5 9.36 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -69.86 -4.52 20.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.659 ' HB3' HG23 ' A' ' 108' ' ' THR . 0.6 OUTLIER -99.73 8.09 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 70.68 15.01 73.12 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.659 HG23 ' HB3' ' A' ' 106' ' ' ASN . 45.6 p -89.43 176.89 6.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 0.729 . . . . 0.0 110.373 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.709 ' HH2' HG21 ' A' ' 80' ' ' VAL . 4.5 m95 -93.84 179.15 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 108.033 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.641 ' N ' HH21 ' A' ' 101' ' ' ARG . . . -98.9 141.49 31.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.15 -51.28 4.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.597 1.186 . . . . 0.0 109.953 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -165.99 123.24 1.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 100' ' ' TYR . 12.5 p -42.68 146.74 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 100' ' ' TYR . 12.7 p30 -64.27 123.49 19.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.572 ' CZ ' ' SG ' ' A' ' 84' ' ' CYS . 0.2 OUTLIER -134.74 87.48 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 111.003 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.0 m -118.94 -62.98 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.045 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 119' ' ' GLU . 27.9 m-70 -95.35 21.77 7.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.584 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.537 ' SG ' ' CE2' ' A' ' 115' ' ' TYR . 37.9 t -68.69 71.68 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 108.33 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.604 ' CD ' ' CE1' ' A' ' 88' ' ' PHE . 0.9 OUTLIER 28.4 70.43 0.51 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.33 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 59.47 5.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.21 153.05 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.13 54.7 2.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 123' ' ' ASP . 2.8 p-10 -74.2 115.79 14.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 71.02 98.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.17 82.63 2.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.234 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 38.67 50.44 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.455 ' HB2' ' NH1' ' A' ' 127' ' ' ARG . 0.2 OUTLIER 50.59 91.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -68.29 -12.84 61.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -165.47 153.54 11.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.27 120.25 2.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -166.23 65.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -151.17 137.3 18.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.597 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 33.9 t80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 p -135.01 155.06 51.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.57 133.36 1.5 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.4 mmm -91.3 169.17 11.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -174.39 113.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.176 . . . . 0.0 109.308 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.41 141.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.47 -43.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.399 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 63.15 152.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.75 155.22 3.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -136.19 174.65 10.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.585 ' O ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -95.1 144.43 25.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 2.0 m-85 177.12 95.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -145.26 172.38 13.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 56.72 63.19 2.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.42 -67.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -165.96 70.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.574 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.9 tmm? -80.99 113.53 19.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -48.53 164.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.206 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -45.51 150.19 0.93 Allowed Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.442 ' HG2' HG21 ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.97 -162.24 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -40.41 149.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 tt -50.69 -46.36 58.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.377 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.26 -105.16 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.442 HG21 ' HG2' ' A' ' 34' ' ' PRO . 3.2 m 53.71 22.78 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.757 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 39' ' ' THR . 1.2 m -169.34 84.55 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.591 1.182 . . . . 0.0 110.345 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.473 ' CD1' ' HG2' ' A' ' 43' ' ' GLN . 0.5 OUTLIER -40.37 119.77 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.37 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.502 ' O ' HD12 ' A' ' 41' ' ' LEU . 3.0 pp -98.6 6.46 47.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.3 OUTLIER -106.01 17.75 23.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.357 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.473 ' HG2' ' CD1' ' A' ' 40' ' ' LEU . 9.5 mm-40 -37.94 -56.04 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 44' ' ' TYR . 8.5 p90 -141.58 158.92 43.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.9 t -163.7 -45.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.153 . . . . 0.0 108.256 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.542 ' CD2' ' HD2' ' A' ' 47' ' ' ARG . 2.2 t60 -121.08 -151.04 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.605 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.542 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -66.79 -12.6 59.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.351 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.681 HG23 ' N ' ' A' ' 49' ' ' THR . 0.5 OUTLIER 54.35 -173.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.389 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.681 ' N ' HG23 ' A' ' 48' ' ' THR . 0.6 OUTLIER 82.25 154.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.413 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.58 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -24.96 -62.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.499 ' O ' ' CG2' ' A' ' 49' ' ' THR . . . -155.92 -173.19 24.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' A' ' 53' ' ' PHE . 16.6 t30 -41.28 104.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 0.737 . . . . 0.0 109.219 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 0.1 OUTLIER 70.83 -58.07 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.71 63.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.02 89.61 0.1 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.414 1.071 . . . . 0.0 111.067 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.631 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 18.4 Cg_endo -74.98 -65.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.631 ' CD1' ' O ' ' A' ' 56' ' ' PRO . 29.4 p90 38.19 -163.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.498 ' N ' ' CD2' ' A' ' 57' ' ' TYR . 4.4 p -67.38 80.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.492 ' C ' ' CD1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -142.54 166.08 25.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 111.051 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.84 128.56 34.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 108.325 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 62' ' ' THR . 16.6 t-20 -90.96 163.28 14.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.26 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 13.0 t -85.42 114.01 22.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -148.33 159.8 43.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.08 . . . . 0.0 110.442 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 pp -79.08 163.85 24.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.499 ' OD1' ' CZ ' ' A' ' 101' ' ' ARG . 4.7 t0 -125.75 -164.16 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -55.33 -42.74 74.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.527 ' O ' ' C ' ' A' ' 68' ' ' GLY . 42.0 pt -102.21 34.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.527 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 25.06 54.03 0.05 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.426 1.079 . . . . 0.0 111.065 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.551 ' O ' HG22 ' A' ' 69' ' ' THR . 1.1 m -84.0 11.49 7.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.434 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.507 ' C ' ' O ' ' A' ' 69' ' ' THR . 0.5 OUTLIER 33.29 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 108.291 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.482 ' O ' ' HA ' ' A' ' 62' ' ' THR . 91.8 m95 -87.85 124.02 67.97 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -74.96 147.83 34.62 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.461 1.769 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.472 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 3.2 mt-30 -37.95 157.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.6 m -157.23 -166.38 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 110.044 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.503 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -117.01 164.53 18.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.503 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -75.08 148.63 35.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.91 44.11 98.28 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.03 -170.39 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.611 0.83 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.447 ' CD2' ' OE1' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -145.26 103.45 3.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.404 1.065 . . . . 0.0 109.349 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.629 HG21 ' HH2' ' A' ' 109' ' ' TRP . 26.3 t -102.12 52.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.543 ' HB2' ' CD2' ' A' ' 100' ' ' TYR . 8.7 pt-20 -87.84 149.17 24.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -137.25 120.35 11.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.49 38.75 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.543 ' SG ' ' CB ' ' A' ' 88' ' ' PHE . 60.7 m -43.07 153.69 0.33 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.407 1.067 . . . . 0.0 108.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -49.3 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.613 ' HA ' ' CD1' ' A' ' 93' ' ' TYR . 15.8 pt-20 -167.59 136.44 2.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.486 ' O ' ' O ' ' A' ' 86' ' ' GLU . 86.6 t80 37.42 98.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.548 ' CG ' ' N ' ' A' ' 89' ' ' ASN . 22.3 p90 -115.99 -47.81 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.548 ' N ' ' CG ' ' A' ' 88' ' ' PHE . 3.3 p30 160.67 47.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 172.86 -108.44 0.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.767 ' O ' HD13 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -179.84 97.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt 171.34 39.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.613 ' CD1' ' HA ' ' A' ' 86' ' ' GLU . 16.6 p90 -112.02 138.24 48.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.398 1.061 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.921 ' O ' HG23 ' A' ' 95' ' ' THR . 27.6 m120 -121.93 -89.3 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.921 HG23 ' O ' ' A' ' 94' ' ' ASN . 0.6 OUTLIER -169.41 109.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.085 . . . . 0.0 110.376 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.691 HG22 ' C ' ' A' ' 95' ' ' THR . 0.1 OUTLIER 166.32 -87.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.401 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.661 ' H ' HG23 ' A' ' 96' ' ' THR . 0.6 OUTLIER 174.73 139.84 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.709 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 1.0 OUTLIER -69.89 134.43 48.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.367 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.843 ' HB1' HG22 ' A' ' 113' ' ' VAL . . . 160.15 177.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.35 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 99' ' ' ALA . 47.0 m-85 -157.06 109.32 2.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.499 ' CZ ' ' OD1' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -125.63 125.92 43.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -110.52 164.06 13.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.75 116.54 28.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 108.298 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.8 mt -56.09 169.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.242 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -78.63 1.13 23.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.45 -1.63 40.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.227 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 82.8 24.73 52.26 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.46 1.1 . . . . 0.0 110.956 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.9 p -104.3 175.65 5.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.362 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.629 ' HH2' HG21 ' A' ' 80' ' ' VAL . 13.1 m95 -96.03 -172.22 2.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.471 ' HB3' ' HE ' ' A' ' 101' ' ' ARG . . . -84.7 -144.07 0.09 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.501 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -91.47 -44.65 8.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.969 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.573 ' O ' HG12 ' A' ' 113' ' ' VAL . 5.8 mtt180 167.0 48.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.843 HG22 ' HB1' ' A' ' 99' ' ' ALA . 0.5 OUTLIER 47.9 -178.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.483 ' H ' HG22 ' A' ' 113' ' ' VAL . 0.3 OUTLIER 160.77 155.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.398 1.061 . . . . 0.0 109.36 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.62 ' N ' ' CD1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -116.51 88.31 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.86 -29.66 11.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.115 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 76.9 m-70 -95.29 1.67 54.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.608 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -117.41 84.11 2.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 108.361 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 4.4 mt-10 161.25 -49.84 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.4 Cg_endo -74.95 -169.27 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.737 ' O ' HG23 ' A' ' 121' ' ' ILE . 0.1 OUTLIER 34.58 89.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.088 . . . . 0.0 109.264 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 2.7 pp -121.68 170.17 9.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.3 t0 178.43 101.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -127.83 49.41 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.58 153.17 7.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.22 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -42.19 135.2 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -103.05 155.34 18.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.182 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.64 103.56 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -97.15 162.86 13.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -76.47 143.86 40.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.49 156.47 23.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -97.33 157.01 16.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.606 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.3 141.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 0.786 . . . . 0.0 110.001 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.69 -130.42 2.7 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.66 172.32 13.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.85 175.06 9.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -143.09 173.23 11.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.366 1.041 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 21' ' ' THR . 11.6 t -114.8 110.25 19.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.544 1.152 . . . . 0.0 110.411 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -42.75 -73.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . 66.73 175.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 23' ' ' ALA . . . 70.44 136.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.23 119.45 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -172.29 177.64 3.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 63.56 136.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.98 176.72 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.31 -58.23 1.98 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 t60 59.11 156.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.609 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -175.28 -45.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.413 ' CG ' ' N ' ' A' ' 33' ' ' SER . 9.8 t70 56.7 166.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.367 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' A' ' 32' ' ' ASP . 0.6 OUTLIER -124.86 137.54 29.74 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 110.051 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.654 ' O ' ' HB3' ' A' ' 35' ' ' ASP . 18.3 Cg_endo -74.99 171.02 19.14 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.395 1.734 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.654 ' HB3' ' O ' ' A' ' 34' ' ' PRO . 41.4 p30 141.97 -142.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.43 82.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.51 179.03 39.55 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 39' ' ' THR . 57.6 m -60.25 -121.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 0.819 . . . . 0.0 110.332 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.409 ' H ' HG22 ' A' ' 38' ' ' THR . 2.6 t -162.13 61.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.427 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.799 HD13 ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -58.25 -166.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.3 mt -124.55 1.57 8.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.52 9.63 10.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.516 ' HG3' ' CD2' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -51.76 -51.11 58.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.516 ' CD2' ' HG3' ' A' ' 43' ' ' GLN . 3.6 m-85 -120.73 174.9 6.3 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 0.0 110.977 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.5 ' O ' HG21 ' A' ' 62' ' ' THR . 24.4 m 73.94 96.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 108.225 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -172.93 137.7 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.594 1.184 . . . . 0.0 109.621 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.484 ' O ' ' HB ' ' A' ' 48' ' ' THR . 5.2 ptp180 -121.44 -52.2 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.339 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.484 ' HB ' ' O ' ' A' ' 47' ' ' ARG . 5.1 t -179.77 161.86 1.02 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' ILE . 47.1 p -137.55 136.32 37.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' THR . 37.0 mt -36.97 108.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.07 149.87 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -85.27 75.85 10.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 0.731 . . . . 0.0 109.351 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.54 ' O ' ' CG ' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -174.55 52.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.88 164.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.995 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.94 113.59 4.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -68.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.458 ' CG ' ' N ' ' A' ' 58' ' ' THR . 41.9 t80 -69.18 168.02 14.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 58' ' ' THR . 12.8 t -99.19 87.92 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 6.9 p90 -125.66 155.24 41.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 76' ' ' PRO . 7.6 m -47.97 132.53 15.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.228 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -111.96 172.6 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.5 HG21 ' O ' ' A' ' 45' ' ' CYS . 1.8 m -75.19 106.97 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.474 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -136.6 164.52 28.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.366 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' A' ' 63' ' ' THR . 0.5 OUTLIER -123.1 122.18 37.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.496 ' OD2' ' CZ ' ' A' ' 101' ' ' ARG . 0.2 OUTLIER -90.27 -167.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.345 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' ASP . 3.1 tp60 -38.42 -30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.661 HD13 ' HE1' ' A' ' 115' ' ' TYR . 25.6 pt -91.09 103.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . -32.24 -38.58 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.553 1.158 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' ILE . 1.7 m -44.54 110.59 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 0.742 . . . . 0.0 110.353 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.47 153.42 35.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 108.255 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.53 ' CZ2' HD11 ' A' ' 67' ' ' ILE . 96.8 m95 -118.21 135.7 23.62 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.138 . . . . 0.0 107.98 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 138.03 22.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.34 162.72 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.03 -178.94 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.45 157.3 65.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.479 ' HB3' ' HA2' ' A' ' 107' ' ' GLY . 18.5 Cg_endo -75.0 171.26 18.68 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.571 1.827 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 52.0 66.67 2.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -157.42 -147.4 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 0.736 . . . . 0.0 109.245 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.634 ' N ' HD23 ' A' ' 79' ' ' LEU . 1.2 pt? -169.87 133.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.706 ' O ' HG12 ' A' ' 80' ' ' VAL . 40.8 t -114.22 63.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.501 ' OE2' HD12 ' A' ' 79' ' ' LEU . 38.9 mt-10 -77.12 133.21 39.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.58 157.77 8.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.531 ' HA ' ' CB ' ' A' ' 98' ' ' ASN . 18.3 Cg_endo -74.96 128.24 11.36 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.5 m -47.8 120.23 7.51 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 108.308 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.528 ' O ' ' CE1' ' A' ' 88' ' ' PHE . 18.3 Cg_endo -74.99 115.91 4.43 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 110.977 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.609 ' HB2' HG22 ' A' ' 91' ' ' ILE . 4.4 pt-20 -34.09 97.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER 175.92 36.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.528 ' CE1' ' O ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -123.54 -56.39 1.7 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.077 . . . . 0.0 110.944 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.643 HD22 ' N ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER 179.45 37.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 159.55 103.09 0.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.609 HG22 ' HB2' ' A' ' 86' ' ' GLU . 3.9 pt -76.35 136.27 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.766 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 91' ' ' ILE . 0.4 OUTLIER 159.37 41.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.602 ' O ' ' CG ' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -77.7 52.59 1.02 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.527 HD22 ' N ' ' A' ' 94' ' ' ASN . 1.8 m-80 -118.94 -70.58 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.7 p -129.42 62.98 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.386 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 p -125.65 -79.05 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.17 . . . . 0.0 110.418 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -163.45 174.03 12.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.594 ' O ' ' CE1' ' A' ' 100' ' ' TYR . 7.1 p-10 -147.02 156.63 43.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.58 ' HB1' HG12 ' A' ' 113' ' ' VAL . . . -102.09 165.82 10.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.659 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -146.0 127.8 15.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.659 ' CG ' HG22 ' A' ' 113' ' ' VAL . 13.2 ttt180 -128.39 131.27 48.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -100.52 149.57 23.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.32 135.67 45.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 76' ' ' PRO . 1.2 tp -86.97 151.77 22.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.55 -0.17 16.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.55 -9.23 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.479 ' HA2' ' HB3' ' A' ' 76' ' ' PRO . . . 101.34 8.93 45.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.61 1.194 . . . . 0.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 109' ' ' TRP . 0.6 OUTLIER -135.52 174.09 10.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 110.415 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.578 ' CE3' ' HD3' ' A' ' 101' ' ' ARG . 63.6 m95 -77.2 -163.4 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 107.986 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.12 -107.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.35 -38.46 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.07 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.9 ptt-85 -178.96 155.59 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.659 HG22 ' CG ' ' A' ' 101' ' ' ARG . 5.9 t -64.56 147.93 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.414 ' ND2' ' HB2' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -87.84 130.58 34.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.661 ' HE1' HD13 ' A' ' 67' ' ' ILE . 9.7 m-85 -125.49 66.64 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.568 ' C ' ' CG ' ' A' ' 117' ' ' HIS . 17.7 m -37.72 -52.36 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.568 ' CG ' ' C ' ' A' ' 116' ' ' SER . 1.6 m-70 -161.98 39.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.596 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.1 t -94.23 -49.54 5.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.258 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.492 ' N ' ' CD ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER -58.12 -51.92 78.31 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 119' ' ' GLU . 18.3 Cg_endo -75.05 61.59 5.74 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.799 . . . . 0.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.3 tt -80.51 160.89 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.84 138.97 49.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -177.24 92.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.232 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -169.58 92.41 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -145.21 60.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -109.75 178.28 4.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 63.02 138.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.433 1.083 . . . . 0.0 110.349 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -167.11 70.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 129' ' ' TYR . 16.6 p90 -86.97 143.86 27.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 171.89 139.97 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 68.76 177.32 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.477 ' O ' ' C ' ' A' ' 133' ' ' TYR . 0.5 OUTLIER -138.27 108.09 6.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.477 ' C ' ' O ' ' A' ' 132' ' ' HIS . 5.4 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.4 p 179.59 157.78 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 0.788 . . . . 0.0 110.008 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.79 -139.96 5.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.25 131.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.45 0.735 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.39 166.5 3.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.62 1.2 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 21' ' ' THR . 1.6 pt-20 -177.95 -174.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -160.05 -51.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.447 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 21' ' ' THR . . . 69.39 -169.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.83 -54.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 59.01 -110.88 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -58.43 143.72 44.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.598 1.186 . . . . 0.0 109.355 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -85.81 -173.23 4.5 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.59 167.19 22.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -138.63 170.44 16.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.579 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -71.41 -78.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 0.0 110.318 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.59 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER 78.51 171.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.646 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.518 ' HB2' ' CD2' ' A' ' 30' ' ' HIS . 36.1 mtt 55.59 73.1 0.44 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.56 121.84 38.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.595 1.184 . . . . 0.0 109.243 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -127.48 154.17 77.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -162.17 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 111.049 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -109.58 146.57 34.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.96 -76.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.23 90.79 2.14 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.8 p -64.22 -10.73 25.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 0.809 . . . . 0.0 110.331 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 53.9 m -158.05 134.14 9.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.393 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.611 HD23 ' H ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -63.45 -40.46 97.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 72.21 5.67 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.241 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 44' ' ' TYR . 1.7 mt-10 -110.13 9.26 24.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' GLU . 1.1 mp0 37.85 -97.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.3 m-85 -85.94 -56.73 3.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.623 ' CB ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -179.53 113.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 108.267 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' THR . 1.7 t-160 -162.05 147.71 13.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.582 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.64 ' C ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -78.12 -68.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.64 HG22 ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 166.45 -39.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.413 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p 41.27 63.82 1.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.388 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.502 HG22 ' HA2' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -60.51 140.76 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.22 -101.97 0.55 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.58 1.175 . . . . 0.0 111.067 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -157.43 30.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -176.17 -177.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 p -39.28 117.89 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.502 ' HA2' HG22 ' A' ' 50' ' ' ILE . . . -64.18 -141.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 57' ' ' TYR . 18.6 Cg_endo -74.88 -67.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.491 1.785 . . . . 0.0 111.026 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.578 ' HB2' ' CE2' ' A' ' 59' ' ' TYR . 5.1 p90 -53.46 -169.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 58' ' ' THR . 10.9 m -152.62 34.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.373 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 57' ' ' TYR . 3.5 p90 -126.33 -178.53 4.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.414 ' O ' ' O ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -92.01 138.52 31.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.297 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.438 ' CB ' ' HD2' ' A' ' 47' ' ' ARG . 1.5 t-20 -120.63 -167.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 71' ' ' TRP . 1.2 m -73.2 127.97 34.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -166.81 174.83 8.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 110.446 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.623 HD23 ' CB ' ' A' ' 45' ' ' CYS . 3.0 pp -119.38 128.16 53.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.437 ' HB2' ' CD1' ' A' ' 71' ' ' TRP . 18.6 t0 -78.97 179.36 7.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -57.26 -21.81 36.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.244 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.499 ' O ' ' C ' ' A' ' 68' ' ' GLY . 2.1 pt -93.12 37.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.499 ' C ' ' O ' ' A' ' 67' ' ' ILE . . . 29.68 42.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.592 ' O ' ' CD1' ' A' ' 71' ' ' TRP . 39.1 m -107.4 107.57 18.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.783 . . . . 0.0 110.434 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.45 110.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 108.222 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.644 ' CE3' HG11 ' A' ' 80' ' ' VAL . 96.7 m95 -101.84 127.63 30.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 156.59 43.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.5 154.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -159.99 171.81 18.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.991 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.487 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -97.94 163.98 18.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.487 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.5 Cg_endo -74.95 146.57 33.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.538 1.809 . . . . 0.0 111.064 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.53 26.57 68.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.26 -150.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.74 111.68 2.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.237 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.89 HG21 ' CH2' ' A' ' 109' ' ' TRP . 70.7 t -102.58 50.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.489 ' CB ' ' HA ' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -83.84 140.13 32.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.775 ' HG3' ' HB3' ' A' ' 99' ' ' ALA . 11.4 ptp180 -171.44 88.84 0.46 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 84' ' ' CYS . 18.2 Cg_endo -74.98 -165.93 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.539 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -37.73 -59.52 1.1 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.306 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.539 ' HD3' ' CB ' ' A' ' 84' ' ' CYS . 18.2 Cg_endo -75.03 165.17 31.82 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.449 1.763 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 87' ' ' TYR . 0.6 OUTLIER -164.69 62.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 86' ' ' GLU . 70.2 t80 178.53 -47.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.559 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 2.7 p90 -126.95 -47.4 1.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 88' ' ' PHE . 0.2 OUTLIER 87.38 -25.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.36 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.845 ' O ' HD13 ' A' ' 91' ' ' ILE . . . -38.37 -26.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.142 . . . . 0.0 111.027 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.845 HD13 ' O ' ' A' ' 90' ' ' GLY . 3.8 mm -145.5 -132.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 0.799 . . . . 0.0 109.324 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.862 ' HG3' HD12 ' A' ' 121' ' ' ILE . 0.7 OUTLIER -126.24 176.05 7.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.442 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER -116.52 -172.67 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.671 HD22 ' N ' ' A' ' 94' ' ' ASN . 1.1 m-80 -100.12 -15.91 18.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.411 HG22 ' HD2' ' A' ' 97' ' ' ARG . 54.5 m -89.89 162.76 15.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.538 ' O ' HG22 ' A' ' 96' ' ' THR . 2.9 m -125.57 70.52 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.411 ' HD2' HG22 ' A' ' 95' ' ' THR . 4.2 mpt_? -135.92 54.83 1.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.539 ' OD1' ' CG ' ' A' ' 115' ' ' TYR . 3.1 p30 -61.83 156.08 21.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.775 ' HB3' ' HG3' ' A' ' 82' ' ' ARG . . . -171.34 169.73 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.489 ' HA ' ' CB ' ' A' ' 81' ' ' GLU . 0.2 OUTLIER 171.97 52.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.759 ' HB3' HG13 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -101.78 -164.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 2.8 pt-20 -151.91 140.07 20.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.02 138.47 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 108.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.21 156.89 36.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.24 1.71 17.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.41 1.26 41.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 81.78 36.66 18.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.138 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 70.0 p -128.69 139.94 51.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.89 ' CH2' HG21 ' A' ' 80' ' ' VAL . 48.1 m95 -56.9 -171.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.034 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 102' ' ' GLU . . . -99.74 -175.19 2.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.38 -55.74 3.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.023 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -147.81 122.41 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.252 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.759 HG13 ' HB3' ' A' ' 101' ' ' ARG . 22.1 t -74.93 160.22 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.531 ' C ' ' CD2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -123.2 156.03 35.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.539 ' CG ' ' OD1' ' A' ' 98' ' ' ASN . 0.3 OUTLIER -173.1 89.15 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.432 ' O ' ' CG ' ' A' ' 120' ' ' PRO . 0.6 OUTLIER -121.85 1.8 9.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.419 1.075 . . . . 0.0 110.008 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.52 14.92 8.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.566 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.54 -74.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 108.25 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.477 ' CB ' ' HD3' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -46.45 -56.01 12.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 119' ' ' GLU . 18.1 Cg_endo -75.02 129.19 12.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.403 1.738 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.862 HD12 ' HG3' ' A' ' 92' ' ' LYS . 1.4 tt -108.0 146.35 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.455 HD21 ' ND2' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -88.46 -172.28 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.25 137.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.75 127.61 21.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -179.76 57.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -84.1 123.9 30.55 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.436 1.085 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.91 129.11 11.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.189 . . . . 0.0 110.305 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -159.41 -60.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.454 ' CG ' ' N ' ' A' ' 130' ' ' ASP . 44.1 t80 53.99 168.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 129' ' ' TYR . 1.5 p-10 178.73 142.33 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.1 tp -124.59 -114.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 69.33 141.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.547 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 7.5 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.2 m -99.86 75.9 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 110.062 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 18' ' ' MET . . . -166.14 -105.49 0.19 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.561 1.163 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.486 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 10.6 ttt 80.85 -59.41 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 0.752 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.02 -77.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 18' ' ' MET . 0.0 OUTLIER 48.18 84.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.6 m -135.08 128.21 31.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -172.98 168.06 4.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.57 -59.82 0.41 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 109.181 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 53.69 177.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.603 1.189 . . . . 0.0 109.321 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -144.38 134.2 23.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -159.1 172.16 18.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.981 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -144.06 143.86 31.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 1.179 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -142.83 106.09 4.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.08 -43.54 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.02 174.79 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.575 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 60.11 120.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.94 167.39 19.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.7 m -83.39 158.4 63.56 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -162.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.46 1.768 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.22 124.23 44.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.366 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -178.65 70.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 38' ' ' THR . . . -41.82 -72.87 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 110.94 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.594 ' O ' ' CB ' ' A' ' 39' ' ' THR . 13.5 m 34.3 90.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 110.365 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.594 ' CB ' ' O ' ' A' ' 38' ' ' THR . 3.1 m 90.09 -132.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.605 HD13 HE22 ' A' ' 43' ' ' GLN . 0.7 OUTLIER 44.81 -163.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.86 22.81 3.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 44' ' ' TYR . 11.1 mp0 54.31 59.22 4.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.605 HE22 HD13 ' A' ' 40' ' ' LEU . 2.4 mt-30 -63.6 76.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.541 ' CG ' ' O ' ' A' ' 43' ' ' GLN . 65.2 m-85 -165.36 154.14 11.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.4 m 77.62 98.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 108.271 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.594 ' CE1' ' HA ' ' A' ' 53' ' ' PHE . 7.3 t60 -136.49 160.53 38.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.663 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.532 ' N ' ' CD2' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -83.11 -93.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.529 ' O ' ' C ' ' A' ' 49' ' ' THR . 14.3 t -176.28 -35.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.529 ' C ' ' O ' ' A' ' 48' ' ' THR . 9.5 t -27.7 125.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.397 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.49 ' CG2' ' O ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER 58.16 114.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.79 -120.35 1.03 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -112.86 -29.76 7.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.594 ' HA ' ' CE1' ' A' ' 46' ' ' HIS . 1.3 m-85 -134.08 170.4 15.71 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.414 ' O ' HG22 ' A' ' 50' ' ' ILE . 0.3 OUTLIER 73.25 -175.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.08 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.7 167.38 33.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -74.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 110.94 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.459 ' CE1' ' CD1' ' A' ' 59' ' ' TYR . 23.2 p90 -72.78 162.6 29.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 58' ' ' THR . 12.0 t -93.07 92.28 7.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.5 ' CZ ' HG21 ' A' ' 49' ' ' THR . 40.7 p90 -102.81 166.84 10.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' TYR . 10.9 m -41.17 134.09 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.451 ' HA ' ' CG ' ' A' ' 73' ' ' GLN . 24.7 t30 -96.64 172.78 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.172 . . . . 0.0 109.301 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 t -87.25 130.73 34.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.462 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -166.66 176.21 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.64 ' CD2' ' O ' ' A' ' 68' ' ' GLY . 14.3 mt -117.48 152.51 34.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.23 -153.19 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.354 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -47.55 -28.55 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.547 ' C ' ' H ' ' A' ' 69' ' ' THR . 0.5 OUTLIER -110.49 110.08 30.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.08 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.64 ' O ' ' CD2' ' A' ' 64' ' ' LEU . . . -50.92 -7.21 0.16 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.17 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.547 ' H ' ' C ' ' A' ' 67' ' ' ILE . 14.7 m -62.25 72.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 110.444 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' A' ' 68' ' ' GLY . 0.6 OUTLIER -38.73 127.98 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 108.32 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.455 ' HH2' ' HB3' ' A' ' 99' ' ' ALA . 49.8 m95 -101.61 115.88 64.31 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 75.14 3.78 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.454 ' NE2' ' HA ' ' A' ' 46' ' ' HIS . 0.9 OUTLIER 52.61 172.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.583 ' OG ' ' CZ2' ' A' ' 109' ' ' TRP . 3.6 m -159.37 -157.82 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.7 152.88 80.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.36 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.427 ' HB3' ' N ' ' A' ' 107' ' ' GLY . 18.4 Cg_endo -74.94 139.82 24.91 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.538 1.81 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.47 20.54 77.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.557 1.161 . . . . 0.0 111.059 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.788 ' C ' HD13 ' A' ' 79' ' ' LEU . . . -126.08 157.89 36.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.789 HD13 ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -123.71 110.8 15.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.589 ' O ' HG12 ' A' ' 80' ' ' VAL . 75.6 t -68.59 63.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 109.222 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 79' ' ' LEU . 4.6 pt-20 -76.4 130.31 37.85 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.398 1.061 . . . . 0.0 110.32 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' A' ' 98' ' ' ASN . 0.0 OUTLIER -132.24 82.04 59.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 85' ' ' PRO . 18.5 Cg_endo -75.01 109.6 2.96 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.47 1.773 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.616 ' O ' ' CZ ' ' A' ' 88' ' ' PHE . 1.7 p -37.31 98.62 0.16 Allowed Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.452 1.095 . . . . 0.0 108.35 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.517 ' HB3' HD12 ' A' ' 91' ' ' ILE . 18.4 Cg_endo -75.0 7.95 2.64 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.388 1.73 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 88' ' ' PHE . 3.0 mt-10 -34.84 153.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.428 ' O ' ' O ' ' A' ' 89' ' ' ASN . 27.8 t80 -36.52 -47.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.641 ' CD1' ' N ' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -41.45 -38.04 1.19 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.641 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 1.7 t-20 -82.23 162.56 22.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.1 48.67 3.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.517 HD12 ' HB3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -162.22 151.72 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.333 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.509 ' N ' HD13 ' A' ' 91' ' ' ILE . 12.8 pttt -82.25 118.62 23.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.464 ' HB3' ' C ' ' A' ' 85' ' ' PRO . 47.6 p90 -81.33 150.94 28.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.47 ' ND2' ' N ' ' A' ' 94' ' ' ASN . 0.0 OUTLIER -119.33 -54.27 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.339 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.4 t -91.32 -174.71 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 96' ' ' THR . 12.6 t -133.47 48.1 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.401 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 53.5 mtt85 -149.75 109.53 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.252 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.705 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 1.8 p-10 -111.88 166.69 10.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.397 1.061 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 98' ' ' ASN . . . 162.46 -174.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.496 ' CD1' ' C ' ' A' ' 99' ' ' ALA . 22.5 m-85 -154.42 106.44 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 109' ' ' TRP . 0.0 OUTLIER -124.73 143.21 50.89 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 79' ' ' LEU . 12.5 pt-20 -110.22 152.97 25.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 110.222 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.31 132.64 48.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 108.3 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 47.8 mt -66.06 168.69 7.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -79.52 1.24 26.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.357 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -94.9 -2.77 49.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.427 ' N ' ' HB3' ' A' ' 76' ' ' PRO . . . 82.45 33.06 26.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 67.4 p -123.11 162.91 21.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 0.73 . . . . 0.0 110.363 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.583 ' CZ2' ' OG ' ' A' ' 74' ' ' SER . 23.5 m95 -80.83 -171.71 3.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 107.975 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.0 -156.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.36 -66.4 0.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -177.78 163.61 1.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.634 1.209 . . . . 0.0 110.278 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.65 ' CG2' ' HB1' ' A' ' 99' ' ' ALA . 1.4 p -39.34 145.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.508 ' ND2' ' N ' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -84.06 -56.93 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.316 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.508 ' N ' ' ND2' ' A' ' 114' ' ' ASN . 0.2 OUTLIER 53.02 93.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.423 1.077 . . . . 0.0 111.012 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.1 -82.52 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.977 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.481 ' CB ' ' HG2' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -159.31 62.1 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.529 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.457 ' SG ' ' ND2' ' A' ' 98' ' ' ASN . 0.1 OUTLIER -52.39 -64.39 0.83 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 108.335 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.52 ' CB ' ' HD3' ' A' ' 120' ' ' PRO . 0.5 OUTLIER -57.61 -58.1 20.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.52 ' HD3' ' CB ' ' A' ' 119' ' ' GLU . 18.3 Cg_endo -75.07 58.51 4.96 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.28 146.68 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.85 119.68 39.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 124' ' ' ASP . 3.8 p30 -127.93 152.9 47.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 123' ' ' ASP . 0.3 OUTLIER 78.04 100.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -68.64 166.76 16.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -104.72 162.02 13.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.127 . . . . 0.0 110.296 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.92 138.91 42.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.61 177.14 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -90.95 170.36 10.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.945 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.52 155.4 39.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.8 pp -155.78 169.0 25.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.09 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 76.25 151.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.628 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 4.3 t80 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.17 . . . . 0.0 110.975 -179.949 . . . . . . . . 0 0 . 1 stop_ save_